Molecule

Cephalexin

AlkaPlorer ID: AK005865

Synonym: None

IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Structure

SMILES: CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CC=CC=C3)[C@H]2SC1

InChI: InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1

InChIKey: ZAIPMKNFIOOWCQ-UEKVPHQBSA-N

Reference

In vitro transformation of ampicillin to cephalexin by free and immobilized cells ofStreptomyces sp.

PubChem CID: 27447

LOTUS: LTS0267481

NPASS: NPC13470

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bos taurus	Bos	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Bubalus bubalis	Bubalus	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Oroxylum indicum	Oroxylum	Bignoniaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 347.3960000000001

TPSA？: 112.73

MolLogP？: 0.4449000000000012

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Bacillus anthracis	Bacillus anthracis	MIC	3.13	ug.mL-1	10.1016/j.bmcl.2018.07.018
Bacillus cereus	Bacillus cereus	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	39810.7	nM	None
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	44668.4	nM	None
Bacillus subtilis	Bacillus subtilis	EC50	250.0	nM	10.1016/j.ejmech.2022.114502
Bacillus subtilis	Bacillus subtilis	MIC	0.78	ug.mL-1	10.1016/j.bmcl.2018.07.018
Bacillus subtilis	Bacillus subtilis	MIC	1.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Bacillus subtilis	Bacillus subtilis	MIC	1.0	ug.mL-1	10.1021/jm00155a013
Bacillus subtilis	Bacillus subtilis	MIC	1.87	ug.mL-1	10.1016/j.ejmech.2022.114502
Bacteria	Bacteria	MIC	5.7	ug.mL-1	10.1021/jm00365a019
Bacteria	Bacteria	MIC	7.8	ug.mL-1	10.1021/jm00365a019
Bos taurus	Progesterone receptor	IC50	nan	None	None
Bos taurus	Progesterone receptor	Ki	nan	None	None
Candida albicans	Candida albicans	MIC	nan	None	10.1016/j.ejmech.2008.10.006
Canis lupus familiaris	MDCK	logPapp	-6.14	None	10.1021/jm901846t
Cavia porcellus	Leukotriene C4 synthase	IC50	nan	None	None
Cavia porcellus	Leukotriene C4 synthase	Ki	nan	None	None
Cavia porcellus	Serotonin 4 (5-HT4) receptor	IC50	nan	None	None
Cavia porcellus	Serotonin 4 (5-HT4) receptor	Ki	nan	None	None
Chryseobacterium indologenes	Metallo-beta-lactamase IND-6	Kcat	19.0	/s	10.1128/aac.01607-08
Chryseobacterium indologenes	Metallo-beta-lactamase IND-6	Kcat/Km	6.3	10'6/M/s	10.1128/aac.01607-08
Chryseobacterium indologenes	Metallo-beta-lactamase IND-6	Km	3000.0	nM	10.1128/aac.01607-08
Enterobacter cloacae	Beta-lactamase	Relative hydrolysis rate	0.7	None	10.1021/jm00133a018
Enterobacter cloacae	Enterobacter cloacae	MIC	25.0	ug.mL-1	10.1021/jm00178a011
Enterobacter cloacae	Enterobacter cloacae	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Enterococcus faecalis	Enterococcus faecalis	MIC	32.0	ug.mL-1	10.1021/jm00401a020
Enterococcus faecalis	Enterococcus faecalis	MIC	64.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Enterococcus faecalis	Enterococcus faecalis	MIC	64.0	ug.mL-1	10.1021/jm00128a003
Enterococcus faecalis	Enterococcus faecalis	MIC	100.0	ug.mL-1	10.1021/jm00178a011
Enterococcus faecalis	Enterococcus faecalis	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Escherichia coli	Beta-lactamase TEM	Relative hydrolysis rate	0.75	None	10.1021/jm00133a018
Escherichia coli	Escherichia coli	CD50	7.4	mg kg-1	10.1021/jm00218a019
Escherichia coli	Escherichia coli	CD50	8.5	mg kg-1	10.1021/jm00218a019
Escherichia coli	Escherichia coli	CD50	17.0	mg kg-1	10.1021/jm00218a019
Escherichia coli	Escherichia coli	ED50	5.6	mg.kg-1	10.1021/jm00197a026
Escherichia coli	Escherichia coli	MIC	1.0	ug.mL-1	10.1021/jm00155a013
Escherichia coli	Escherichia coli	MIC	2.0	ug.mL-1	10.1128/aac.01094-07
Escherichia coli	Escherichia coli	MIC	4.94	ug.mL-1	10.1016/j.ejmech.2022.114502
Escherichia coli	Escherichia coli	MIC	6.2	ug.mL-1	10.1021/jm00178a011
Escherichia coli	Escherichia coli	MIC	6.2	ug.mL-1	10.1021/jm00197a026
Escherichia coli	Escherichia coli	MIC	8.0	ug.mL-1	10.1021/jm00401a020
Escherichia coli	Escherichia coli	MIC	8.5	ug.mL-1	10.1021/jm00219a009
Escherichia coli	Escherichia coli	MIC	12.5	ug.mL-1	10.1021/jm00218a018
Escherichia coli	Escherichia coli	MIC	12.5	ug.mL-1	10.1021/jm00218a019
Escherichia coli	Escherichia coli	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Escherichia coli	Escherichia coli	MIC	100.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Escherichia coli	Escherichia coli	MIC50	25.0	ug.mL-1	10.1021/jm00391a032
Escherichia coli	Escherichia coli	MIC70	100.0	ug.mL-1	10.1021/jm00391a032
Escherichia coli	Escherichia coli	Zone reduction	27.0	%	10.1021/jm00369a001
Escherichia coli K-12	Beta-lactamase AmpC	Relative hydrolysis rate	4.2	None	10.1021/jm00133a018
Escherichia coli K-12	Beta-lactamase AmpC	Relative hydrolysis rate	39.0	None	10.1021/jm00133a018
Escherichia coli K-12	Beta-lactamase AmpC	Relative hydrolysis rate	57.0	None	10.1021/jm00133a018
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Potency	11193.6	nM	None
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Potency	12559.4	nM	None
Haemophilus influenzae	Haemophilus influenzae	MIC	4.0	ug.mL-1	10.1021/jm00401a020
Haemophilus influenzae	Haemophilus influenzae	MIC	8.0	ug.mL-1	10.1021/jm00150a022
Haemophilus influenzae	Haemophilus influenzae	MIC	8.0	ug.mL-1	10.1021/jm00150a023
Haemophilus influenzae	Haemophilus influenzae	MIC	8.0	ug.mL-1	10.1021/jm00150a024
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	35481.3	nM	None
Homo sapiens	Acetylcholinesterase	IC50	nan	None	None
Homo sapiens	Acetylcholinesterase	Ki	nan	None	None
Homo sapiens	Adenosine A1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A1 receptor	IC50	nan	None	None
Homo sapiens	Adenosine A1 receptor	Ki	nan	None	None
Homo sapiens	Adenosine A2a receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A2a receptor	IC50	nan	None	None
Homo sapiens	Adenosine A2a receptor	Ki	nan	None	None
Homo sapiens	Adenosine A3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A3 receptor	IC50	nan	None	None
Homo sapiens	Adenosine A3 receptor	Ki	nan	None	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	31622.8	nM	None
Homo sapiens	Alpha-1a adrenergic receptor	AC50	5780.2	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1a adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1d adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-1d adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2a adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2a adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2b adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2b adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2b adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2c adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	Ki	nan	None	None
Homo sapiens	Angiotensin II type 2 (AT-2) receptor	IC50	nan	None	None
Homo sapiens	Angiotensin II type 2 (AT-2) receptor	Ki	nan	None	None
Homo sapiens	Beta-1 adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Beta-1 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-1 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Beta-2 adrenergic receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Beta-2 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-2 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Beta-3 adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Beta-3 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-3 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Bile salt export pump	AC50	300000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bradykinin B1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bradykinin B2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bradykinin B2 receptor	IC50	nan	None	None
Homo sapiens	Bradykinin B2 receptor	Ki	nan	None	None
Homo sapiens	Bromodomain adjacent to zinc finger domain protein 2B	Potency	89125.1	nM	None
Homo sapiens	Caco-2	logPapp	-6.57	None	10.1016/j.bmc.2011.03.011
Homo sapiens	Calcitonin receptor	IC50	nan	None	None
Homo sapiens	Calcitonin receptor	Ki	nan	None	None
Homo sapiens	Canalicular multispecific organic anion transporter 1	Inhibition	nan	%	10.1124/dmd.111.041731
Homo sapiens	Canalicular multispecific organic anion transporter 2	Inhibition	nan	%	10.1124/dmd.111.041731
Homo sapiens	Cannabinoid CB1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cannabinoid CB1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cannabinoid CB1 receptor	IC50	nan	None	None
Homo sapiens	Cannabinoid CB1 receptor	Ki	nan	None	None
Homo sapiens	Carbonic anhydrase II	IC50	nan	None	None
Homo sapiens	Carbonic anhydrase II	Ki	nan	None	None
Homo sapiens	Caspase-1	IC50	nan	None	None
Homo sapiens	Caspase-1	Ki	nan	None	None
Homo sapiens	Cathepsin G	IC50	nan	None	None
Homo sapiens	Cathepsin G	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 2	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 2	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 4	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 4	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 5	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 5	Ki	nan	None	None
Homo sapiens	Cholecystokinin A receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cholecystokinin A receptor	IC50	nan	None	None
Homo sapiens	Cholecystokinin A receptor	Ki	nan	None	None
Homo sapiens	Cholecystokinin B receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Corticotropin releasing factor receptor 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Corticotropin releasing factor receptor 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	IC50	nan	None	None
Homo sapiens	Cyclooxygenase-1	Ki	nan	None	None
Homo sapiens	Cyclooxygenase-2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-2	IC50	nan	None	None
Homo sapiens	Cyclooxygenase-2	Ki	nan	None	None
Homo sapiens	Cysteinyl leukotriene receptor 1	IC50	nan	None	None
Homo sapiens	Cysteinyl leukotriene receptor 1	Ki	nan	None	None
Homo sapiens	Cytochrome P450 1A2	IC50	nan	None	None
Homo sapiens	Cytochrome P450 1A2	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2A6	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2A6	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C19	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C9	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2D6	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2E1	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2E1	Ki	nan	None	None
Homo sapiens	Cytochrome P450 3A4	IC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	Ki	nan	None	None
Homo sapiens	Delta opioid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Delta opioid receptor	IC50	nan	None	None
Homo sapiens	Delta opioid receptor	Ki	nan	None	None
Homo sapiens	Dopamine D1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D1 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D1 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D2 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D2 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D2 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D3 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D3 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D4 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D4 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D4 receptor	Ki	nan	None	None
Homo sapiens	Dopamine transporter	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	IC50	nan	None	None
Homo sapiens	Dopamine transporter	Ki	nan	None	None
Homo sapiens	Endothelin receptor ET-A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Endothelin receptor ET-A	IC50	nan	None	None
Homo sapiens	Endothelin receptor ET-A	Ki	nan	None	None
Homo sapiens	Endothelin receptor ET-B	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	nan	None	None
Homo sapiens	Epidermal growth factor receptor erbB1	Ki	nan	None	None
Homo sapiens	Equilibrative nucleoside transporter 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	IC50	nan	None	None
Homo sapiens	Estrogen receptor alpha	Ki	nan	None	None
Homo sapiens	Estrogen receptor beta	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor beta	IC50	nan	None	None
Homo sapiens	Estrogen receptor beta	Ki	nan	None	None
Homo sapiens	Gastric inhibitory polypeptide receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Ghrelin receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Glucagon receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Glucocorticoid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Glucocorticoid receptor	IC50	nan	None	None
Homo sapiens	Glucocorticoid receptor	Ki	nan	None	None
Homo sapiens	HepG2	LD50	100.0	ug ml-1	10.1021/acs.jmedchem.5b01833
Homo sapiens	HERG	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	HERG	IC50	nan	None	None
Homo sapiens	HERG	Ki	nan	None	None
Homo sapiens	Histamine H1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H1 receptor	IC50	nan	None	None
Homo sapiens	Histamine H1 receptor	Ki	nan	None	None
Homo sapiens	Histamine H2 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H2 receptor	IC50	nan	None	None
Homo sapiens	Histamine H2 receptor	Ki	nan	None	None
Homo sapiens	Histamine H3 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histone deacetylase 6	Inhibition	-10.03	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	4.02	%	10.6019/CHEMBL4808148
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	3981.1	nM	None
Homo sapiens	HMG-CoA reductase	IC50	nan	None	None
Homo sapiens	HMG-CoA reductase	Ki	nan	None	None
Homo sapiens	Homo sapiens	Absorption	91.0	%	10.1021/jm970530e
Homo sapiens	Homo sapiens	Activity	1.0	%	10.1016/j.ejmech.2009.11.034
Homo sapiens	Homo sapiens	CL	0.4	mL.min-1.kg-1	10.1021/jm901371v
Homo sapiens	Homo sapiens	CL	3.9	mL.min-1.kg-1	10.1021/jm900403j
Homo sapiens	Homo sapiens	CL	3.9	mL.min-1.kg-1	10.1021/jm901371v
Homo sapiens	Homo sapiens	CL_renal	3.5	mL.min-1.kg-1	10.1021/jm901371v
Homo sapiens	Homo sapiens	CL_renal	3.55	mL.min-1.kg-1	10.1021/jm900403j
Homo sapiens	Homo sapiens	DILI_Concern	nan	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	DILI_severity_class	4.0	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	F	90.0	%	10.1016/j.bmc.2007.08.060
Homo sapiens	Homo sapiens	F	90.0	%	10.1021/jm901846t
Homo sapiens	Homo sapiens	Fa	1.0	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	F_fraction	0.9	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	Fg	0.91	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	Fh	0.98	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	Vdss	0.21	L.kg-1	10.1021/jm901371v
Homo sapiens	Hydroxycarboxylic acid receptor 2	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Interleukin-8 receptor A	IC50	nan	None	None
Homo sapiens	Interleukin-8 receptor A	Ki	nan	None	None
Homo sapiens	Interleukin-8 receptor B	IC50	nan	None	None
Homo sapiens	Interleukin-8 receptor B	Ki	nan	None	None
Homo sapiens	Kappa opioid receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Kappa opioid receptor	IC50	nan	None	None
Homo sapiens	Kappa opioid receptor	Ki	nan	None	None
Homo sapiens	Leukocyte common antigen	IC50	nan	None	None
Homo sapiens	Leukocyte common antigen	Ki	nan	None	None
Homo sapiens	Leukocyte elastase	IC50	nan	None	None
Homo sapiens	Leukocyte elastase	Ki	nan	None	None
Homo sapiens	MAP kinase ERK1	IC50	nan	None	None
Homo sapiens	MAP kinase ERK1	Ki	nan	None	None
Homo sapiens	MAP kinase ERK2	IC50	nan	None	None
Homo sapiens	MAP kinase ERK2	Ki	nan	None	None
Homo sapiens	MAP kinase ERK2	Potency	7943.3	nM	None
Homo sapiens	MAP kinase p38 alpha	IC50	nan	None	None
Homo sapiens	MAP kinase p38 alpha	Ki	nan	None	None
Homo sapiens	Matrix metalloproteinase-1	IC50	nan	None	None
Homo sapiens	Matrix metalloproteinase-1	Ki	nan	None	None
Homo sapiens	Matrix metalloproteinase 9	IC50	nan	None	None
Homo sapiens	Matrix metalloproteinase 9	Ki	nan	None	None
Homo sapiens	Melanocortin receptor 3	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Melanocortin receptor 3	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 3	Ki	nan	None	None
Homo sapiens	Melanocortin receptor 4	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Melanocortin receptor 4	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 4	Ki	nan	None	None
Homo sapiens	Melanocortin receptor 5	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 5	Ki	nan	None	None
Homo sapiens	Microtubule-associated protein tau	Potency	14125.4	nM	None
Homo sapiens	Monoamine oxidase A	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Monoamine oxidase A	IC50	nan	None	None
Homo sapiens	Monoamine oxidase A	Ki	nan	None	None
Homo sapiens	Motilin receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Multidrug resistance-associated protein 4	Inhibition	nan	%	10.1124/dmd.111.041731
Homo sapiens	Mu opioid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Mu opioid receptor	IC50	nan	None	None
Homo sapiens	Mu opioid receptor	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M1	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M2	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M3	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M3	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M3	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M4	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M4	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	Ki	nan	None	None
Homo sapiens	Neurokinin 1 receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neurokinin 1 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 1 receptor	Ki	nan	None	None
Homo sapiens	Neurokinin 2 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 2 receptor	Ki	nan	None	None
Homo sapiens	Neuronal acetylcholine receptor protein alpha-4 subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neuropeptide Y receptor type 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neuropeptide Y receptor type 1	IC50	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 1	Ki	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neuropeptide Y receptor type 2	IC50	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 2	Ki	nan	None	None
Homo sapiens	Neurotensin receptor 1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	IC50	nan	None	None
Homo sapiens	Norepinephrine transporter	Ki	nan	None	None
Homo sapiens	Oligopeptide transporter small intestine isoform	Activity	11.0	%	10.1074/jbc.270.12.6456
Homo sapiens	Oligopeptide transporter small intestine isoform	Activity	54.7	%	None
Homo sapiens	Oligopeptide transporter small intestine isoform	Activity	60.8	%	None
Homo sapiens	Oligopeptide transporter small intestine isoform	Activity	nan	None	10.1021/js980132e
Homo sapiens	Oligopeptide transporter small intestine isoform	Activity	nan	None	10.1038/nrd3028
Homo sapiens	Oligopeptide transporter small intestine isoform	Activity	nan	None	10.1074/jbc.270.43.25672
Homo sapiens	Oligopeptide transporter small intestine isoform	IC50	5200000.0	nM	10.1023/a:1016476220296
Homo sapiens	Oligopeptide transporter small intestine isoform	IC50	13700000.0	nM	10.1021/js980132e
Homo sapiens	Oligopeptide transporter small intestine isoform	Inhibition	50.0	%	None
Homo sapiens	Oligopeptide transporter small intestine isoform	Ki	14000000.0	nM	10.1021/jm048982w
Homo sapiens	Oligopeptide transporter small intestine isoform	Ki	14400000.0	nM	10.1016/j.ejpb.2004.07.008
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4D	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 5A	IC50	nan	None	None
Homo sapiens	Phosphodiesterase 5A	Ki	nan	None	None
Homo sapiens	Platelet activating factor receptor	IC50	nan	None	None
Homo sapiens	Platelet activating factor receptor	Ki	nan	None	None
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Protein kinase C alpha	IC50	nan	None	None
Homo sapiens	Protein kinase C alpha	Ki	nan	None	None
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	IC50	nan	None	None
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	Ki	nan	None	None
Homo sapiens	Runt-related transcription factor 1/Core-binding factor subunit beta	Potency	39810.7	nM	None
Homo sapiens	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	IC50	nan	None	None
Homo sapiens	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	Ki	nan	None	None
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2a (5-HT2a) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2a (5-HT2a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2a (5-HT2a) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2a (5-HT2a) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	6305.9	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 2c (5-HT2c) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2c (5-HT2c) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 3a (5-HT3a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 6 (5-HT6) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 6 (5-HT6) receptor	Ki	nan	None	None
Homo sapiens	Serotonin transporter	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	IC50	nan	None	None
Homo sapiens	Serotonin transporter	Ki	nan	None	None
Homo sapiens	Serum albumin	Log K'	1.11	None	10.1021/jm010960b
Homo sapiens	Sigma opioid receptor	IC50	nan	None	None
Homo sapiens	Sigma opioid receptor	Ki	nan	None	None
Homo sapiens	Solute carrier family 15 member 2	Activity	0.0	%	10.1016/0005-2736(95)80036-f
Homo sapiens	Solute carrier family 15 member 2	Activity	nan	None	10.1038/nrd3028
Homo sapiens	Solute carrier family 15 member 2	Activity	nan	None	10.1074/jbc.270.43.25672
Homo sapiens	Solute carrier family 15 member 2	Ki	68200.0	nM	10.1074/jbc.270.43.25672
Homo sapiens	Solute carrier family 15 member 2	Ki	75000.0	nM	10.1016/j.bmc.2011.06.027
Homo sapiens	Solute carrier family 15 member 2	Ki	75857.76	nM	10.1016/j.bmc.2011.06.027
Homo sapiens	Solute carrier family 22 member 1	Inhibition	-1.9	%	10.1021/jm8003152
Homo sapiens	Solute carrier family 22 member 5	Activity	nan	None	10.1074/jbc.275.3.1699
Homo sapiens	Solute carrier family 22 member 8	Inhibition	nan	%	10.1124/dmd.112.049569
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	94.03	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	89.2	%	10.1124/mol.112.084152
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane-A synthase	IC50	nan	None	None
Homo sapiens	Thromboxane-A synthase	Ki	nan	None	None
Homo sapiens	Transthyretin	Activity	-9.0	%	10.1021/acs.jmedchem.1c00823
Homo sapiens	Transthyretin	Activity	-0.91	%	10.1021/acs.jmedchem.1c00823
Homo sapiens	Transthyretin	Activity	63.0	%	10.1021/acs.jmedchem.1c00823
Homo sapiens	Transthyretin	Activity	92.0	%	10.1021/acs.jmedchem.1c00823
Homo sapiens	Type-1 angiotensin II receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Tyrosine-protein kinase FYN	IC50	nan	None	None
Homo sapiens	Tyrosine-protein kinase FYN	Ki	nan	None	None
Homo sapiens	Tyrosine-protein kinase LCK	IC50	nan	None	None
Homo sapiens	Tyrosine-protein kinase LCK	Ki	nan	None	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	29855.4	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	50118.7	nM	None
Homo sapiens	Vascular endothelial growth factor receptor 1	IC50	nan	None	None
Homo sapiens	Vascular endothelial growth factor receptor 1	Ki	nan	None	None
Homo sapiens	Vasoactive intestinal polypeptide receptor 1	IC50	nan	None	None
Homo sapiens	Vasoactive intestinal polypeptide receptor 1	Ki	nan	None	None
Homo sapiens	Vasopressin V1a receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Vasopressin V1a receptor	IC50	nan	None	None
Homo sapiens	Vasopressin V1a receptor	Ki	nan	None	None
Homo sapiens	Vasopressin V2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Vitamin D receptor	Potency	50118.7	nM	None
Klebsiella aerogenes	Klebsiella aerogenes	MIC	5.0	ug.mL-1	10.1021/jm00218a018
Klebsiella aerogenes	Klebsiella aerogenes	MIC	5.0	ug.mL-1	10.1021/jm00218a019
Klebsiella aerogenes	Klebsiella aerogenes	MIC	6.8	ug.mL-1	10.1021/jm00219a009
Klebsiella aerogenes	Klebsiella aerogenes	MIC	25.0	ug.mL-1	10.1021/jm00178a011
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	3.1	ug.mL-1	10.1021/jm00178a011
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	3.1	ug.mL-1	10.1021/jm00197a026
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	7.0	ug.mL-1	10.1021/jm00219a009
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	16.0	ug.mL-1	10.1021/jm00401a020
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	125.0	ug.mL-1	10.1016/j.bmc.2020.115759
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	250.0	ug.mL-1	10.1016/j.bmc.2020.115759
Listeria monocytogenes	Listeria monocytogenes	IZ	12.2	mm	10.1128/aac.00503-10
Listeria monocytogenes	Listeria monocytogenes	IZ	14.8	mm	10.1128/aac.00503-10
Micrococcus luteus	Micrococcus luteus	MIC	1.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Mus musculus	Blood	Drug uptake	0.15	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	0.42	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	0.56	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	2.5	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	3.0	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	8.3	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	13.3	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	20.5	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	21.7	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	23.9	ug ml-1	10.1021/jm00218a019
Mus musculus	Blood	Drug uptake	27.0	ug ml-1	10.1021/jm00218a019
Mus musculus	Monoamine oxidase A	Activity	nan	None	10.1021/jm800656v
Mus musculus	Mus musculus	ED50	0.2	mg 2kg-1	10.1021/jm00118a022
Mus musculus	Mus musculus	ED50	0.34	mg 2kg-1	10.1021/jm00118a022
Mus musculus	Mus musculus	ED50	0.9	mg.kg-1	10.1021/jm00150a023
Mus musculus	Mus musculus	ED50	1.66	mg.kg-1	10.1021/jm00150a023
Mus musculus	Mus musculus	ED50	1.77	mg.kg-1	10.1021/jm00150a023
Mus musculus	Mus musculus	ED50	2.9	mg 2kg-1	10.1021/jm00118a022
Mus musculus	Mus musculus	ED50	2.9	mg.kg-1	10.1021/jm00150a023
Mus musculus	Mus musculus	ED50	3.3	mg 2kg-1	10.1021/jm00118a022
Mus musculus	Mus musculus	ED50	23.0	mg 2kg-1	10.1021/jm00118a022
Mus musculus	Mus musculus	ED50	30.5	mg.kg-1	10.1021/jm00150a023
Mus musculus	Mus musculus	ED50	37.0	mg.kg-1	10.1021/jm00150a023
Mus musculus	Mus musculus	ED50	51.0	mg 2kg-1	10.1021/jm00118a022
Mus musculus	Mus musculus	MIC	0.5	ug.mL-1	10.1021/jm00118a022
Mus musculus	Mus musculus	MIC	1.0	ug.mL-1	10.1021/jm00118a022
Mus musculus	Mus musculus	MIC	4.0	ug.mL-1	10.1021/jm00118a022
Mus musculus	Mus musculus	Peak time	15.0	min	10.1021/jm00178a011
Mus musculus	Nitric oxide synthase, inducible	IC50	nan	None	None
Mus musculus	Nitric oxide synthase, inducible	Ki	nan	None	None
Mus musculus	Solute carrier family 22 member 6	Inhibition	nan	%	10.1124/dmd.112.049569
Mus musculus	Solute carrier family 22 member 8	Inhibition	nan	%	10.1124/dmd.112.049569
Mus musculus	Solute carrier family 22 member 8	PPB	nan	%	10.1124/dmd.112.049569
Mycobacterium tuberculosis	Mycobacterium tuberculosis	Activity	nan	None	10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	120.0	nM	10.1016/j.ejmech.2017.06.051
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	72000.0	nM	10.1016/j.ejmech.2022.114454
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	33.99	ug.mL-1	10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	61.35	ug.mL-1	10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	70.42	ug.mL-1	10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	73.04	ug.mL-1	10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	97.93	ug.mL-1	10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	100.0	ug.mL-1	10.1021/acs.jmedchem.5b01833
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC	128.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Oryctolagus cuniculus	Angiotensin-converting enzyme	IC50	nan	None	None
Oryctolagus cuniculus	Angiotensin-converting enzyme	Ki	nan	None	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	IC50	nan	None	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	Ki	nan	None	None
Proteus mirabilis	Beta-lactamase	Relative hydrolysis rate	39.0	None	10.1021/jm00133a018
Proteus mirabilis	Proteus mirabilis	CD50	64.0	mg kg-1	10.1021/jm00218a019
Proteus mirabilis	Proteus mirabilis	CD50	84.0	mg kg-1	10.1021/jm00218a019
Proteus mirabilis	Proteus mirabilis	MIC	1.0	ug.mL-1	10.1128/aac.01094-07
Proteus mirabilis	Proteus mirabilis	MIC	1.5	ug.mL-1	10.1128/aac.01094-07
Proteus mirabilis	Proteus mirabilis	MIC	2.0	ug.mL-1	10.1128/aac.01094-07
Proteus mirabilis	Proteus mirabilis	MIC	3.0	ug.mL-1	10.1128/aac.01094-07
Proteus mirabilis	Proteus mirabilis	MIC	4.0	ug.mL-1	10.1021/jm00401a020
Proteus mirabilis	Proteus mirabilis	MIC	4.0	ug.mL-1	10.1128/aac.01094-07
Proteus mirabilis	Proteus mirabilis	MIC	6.0	ug.mL-1	10.1128/aac.01094-07
Proteus mirabilis	Proteus mirabilis	MIC	12.5	ug.mL-1	10.1021/jm00178a011
Proteus mirabilis	Proteus mirabilis	MIC	12.5	ug.mL-1	10.1021/jm00218a018
Proteus mirabilis	Proteus mirabilis	MIC	12.5	ug.mL-1	10.1021/jm00218a019
Proteus mirabilis	Proteus mirabilis	MIC	25.0	ug.mL-1	10.1021/jm00197a026
Proteus mirabilis	Proteus mirabilis	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Proteus mirabilis	Proteus mirabilis	MIC	125.0	ug.mL-1	10.1016/j.bmc.2020.115759
Proteus vulgaris	Proteus vulgaris	MIC	125.0	ug.mL-1	10.1016/j.bmc.2020.115759
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	10.0	ug.mL-1	10.1016/j.ejmech.2022.114502
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Rattus norvegicus	Aldose reductase	IC50	nan	None	None
Rattus norvegicus	Aldose reductase	Ki	nan	None	None
Rattus norvegicus	Alpha-1a adrenergic receptor	IC50	nan	None	None
Rattus norvegicus	Alpha-1a adrenergic receptor	Ki	nan	None	None
Rattus norvegicus	Alpha-1b adrenergic receptor	IC50	nan	None	None
Rattus norvegicus	Alpha-1b adrenergic receptor	Ki	nan	None	None
Rattus norvegicus	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Androgen Receptor	IC50	nan	None	None
Rattus norvegicus	Androgen Receptor	Ki	nan	None	None
Rattus norvegicus	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	GABA receptor alpha-1 subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Glutamate (NMDA) receptor subunit zeta 1	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Glycine receptor	IC50	nan	None	None
Rattus norvegicus	Glycine receptor	Ki	nan	None	None
Rattus norvegicus	Insulin receptor	IC50	nan	None	None
Rattus norvegicus	Insulin receptor	Ki	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	IC50	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	Ki	nan	None	None
Rattus norvegicus	Oligopeptide transporter, kidney isoform	Ki	49000.0	nM	10.1152/ajprenal.1997.273.5.f706
Rattus norvegicus	Oligopeptide transporter, kidney isoform	Ki	75000.0	nM	10.1016/j.ejpb.2004.07.008
Rattus norvegicus	Oligopeptide transporter, kidney isoform	Km	49000.0	nM	10.1074/jbc.270.43.25672
Rattus norvegicus	Plasma	Fu	0.85	None	10.1021/jm901371v
Rattus norvegicus	Rattus norvegicus	ALB	39300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	41300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	42000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	42300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	234.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	245.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	320.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	343.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	49.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	50.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	67.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	101.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	82.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	86.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	94.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	98.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	143.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	146.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	160.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	183.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	101.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	103.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	105.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	703.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	736.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	756.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	1066.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	208.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	209.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	302.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	652.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CL	1.07	mL.min-1.kg-1	10.1124/dmd.112.049312
Rattus norvegicus	Rattus norvegicus	CL	1.408	mL.min-1.kg-1	10.1124/dmd.112.049312
Rattus norvegicus	Rattus norvegicus	CO2	24000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	28000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	30000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	31670000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.4	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	47.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	48.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1400.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1633.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1746.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	2006.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.87	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	35.6	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	35.7	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	35.97	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	133300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	138700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	139300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	140000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	98.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	154.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	208.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	425.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	11635.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	13406.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	14295.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	17436.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	81.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	94.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	95.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	96.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.63	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.8	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.03	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	25.23	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	388000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	389300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	392000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	393300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.17	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	61.07	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	61.97	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	64.3	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	44.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	55.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	124.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	3.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	4.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	5.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	18.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	435.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	706.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	716.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	2649.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	109.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	117.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	132.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	132.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	900000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1231000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1275330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1279000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.92	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.1	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.36	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	7.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	56700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	59000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	59700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	61300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5550000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5620000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5810000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5850000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.0	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	145.43	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	146.17	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	146.5	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	150.03	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Tissue Severity Score	nan	None	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	12.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	18.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	19.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	21.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14170.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14830.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	18270.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	IC50	nan	None	None
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Ki	nan	None	None
Rattus norvegicus	Serotonin 1b (5-HT1b) receptor	IC50	nan	None	None
Rattus norvegicus	Serotonin 1b (5-HT1b) receptor	Ki	nan	None	None
Rattus norvegicus	Solute carrier family 15 member 1	Activity	nan	None	10.1111/j.2042-7158.1997.tb06115.x
Rattus norvegicus	Solute carrier family 15 member 1	Ki	4500000.0	nM	10.1152/ajprenal.1997.273.5.f706
Rattus norvegicus	Solute carrier family 22 member 6	Activity	nan	None	10.2133/dmpk.17.125
Rattus norvegicus	Solute carrier family 22 member 6	IC50	2000000.0	nM	10.1016/s0024-3205(02)01500-x
Rattus norvegicus	Solute carrier family 22 member 6	Ki	2310000.0	nM	None
Rattus norvegicus	Solute carrier family 22 member 8	IC50	630000.0	nM	10.1016/s0024-3205(02)01500-x
Rattus norvegicus	Voltage-gated L-type calcium channel alpha-1C subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Voltage-gated N-type calcium channel alpha-1B subunit	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Salmonella	Salmonella	ED50	8.2	mg.kg-1	10.1021/jm00197a026
Salmonella	Salmonella	MIC	6.2	ug.mL-1	10.1021/jm00197a026
Salmonella enterica subsp. enterica serovar Typhi	Salmonella typhi	MIC	5.0	ug.mL-1	10.1021/jm00218a018
Salmonella enterica subsp. enterica serovar Typhi	Salmonella typhi	MIC	5.0	ug.mL-1	10.1021/jm00218a019
Salmonella enterica subsp. enterica serovar Typhimurium	Salmonella typhimurium	Activity	nan	None	10.1016/j.ejmech.2007.06.013
Salmonella enterica subsp. enterica serovar Typhimurium	Salmonella typhimurium	MIC	200.0	ug.mL-1	10.1016/j.ejmech.2007.06.013
Serratia marcescens	Serratia marcescens	MIC	140.0	ug.mL-1	10.1021/jm00219a009
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	-7.87	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	4.674	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-3.26	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.1	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.01	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition index	-0.04837	None	10.1101/2020.04.03.023846
Shigella sonnei	Shigella sonnei	MIC	5.0	ug.mL-1	10.1021/jm00218a018
Shigella sonnei	Shigella sonnei	MIC	5.0	ug.mL-1	10.1021/jm00218a019
Shigella sp.	Shigella sp.	MIC	9.0	ug.mL-1	10.1021/jm00219a009
Staphylococcus	Staphylococcus	MIC	128.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Staphylococcus aureus	Staphylococcus aureus	Activity	200.0	mg/L	10.1128/aac.01135-08
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1016/j.ejmech.2007.06.013
Staphylococcus aureus	Staphylococcus aureus	CD50	0.25	mg kg-1	10.1021/jm00218a019
Staphylococcus aureus	Staphylococcus aureus	CD50	0.38	mg kg-1	10.1021/jm00218a019
Staphylococcus aureus	Staphylococcus aureus	CD50	0.46	mg kg-1	10.1021/jm00218a019
Staphylococcus aureus	Staphylococcus aureus	CD50	1.0	mg kg-1	10.1021/jm00218a019
Staphylococcus aureus	Staphylococcus aureus	EC50	0.27	ug.mL-1	10.1128/aac.01135-08
Staphylococcus aureus	Staphylococcus aureus	EC50	770.0	nM	10.1016/j.ejmech.2022.114502
Staphylococcus aureus	Staphylococcus aureus	ED50	0.2	mg 2kg-1	10.1021/jm00150a022
Staphylococcus aureus	Staphylococcus aureus	ED50	0.34	mg 2kg-1	10.1021/jm00150a022
Staphylococcus aureus	Staphylococcus aureus	FC	2.0	None	10.1128/aac.01135-08
Staphylococcus aureus	Staphylococcus aureus	FC	16.0	None	10.1128/aac.01135-08
Staphylococcus aureus	Staphylococcus aureus	log10cfu	0.035	None	10.1128/aac.01135-08
Staphylococcus aureus	Staphylococcus aureus	log10cfu	2.42	None	10.1128/aac.01135-08
Staphylococcus aureus	Staphylococcus aureus	log10cfu	3.09	None	10.1128/aac.01135-08
Staphylococcus aureus	Staphylococcus aureus	MIC	0.3	ug.mL-1	10.1021/jm00155a013
Staphylococcus aureus	Staphylococcus aureus	MIC	0.5	ug.mL-1	10.1021/jm00128a003
Staphylococcus aureus	Staphylococcus aureus	MIC	0.5	ug.mL-1	10.1021/jm00401a020
Staphylococcus aureus	Staphylococcus aureus	MIC	0.8	ug.mL-1	10.1021/jm00178a011
Staphylococcus aureus	Staphylococcus aureus	MIC	1.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Staphylococcus aureus	Staphylococcus aureus	MIC	1.0	ug.mL-1	10.1021/jm00150a022
Staphylococcus aureus	Staphylococcus aureus	MIC	1.25	ug.mL-1	10.1021/jm00218a018
Staphylococcus aureus	Staphylococcus aureus	MIC	1.25	ug.mL-1	10.1021/jm00218a019
Staphylococcus aureus	Staphylococcus aureus	MIC	1.6	ug.mL-1	10.1021/jm00197a026
Staphylococcus aureus	Staphylococcus aureus	MIC	2.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Staphylococcus aureus	Staphylococcus aureus	MIC	2.39	ug.mL-1	10.1016/j.ejmech.2022.114502
Staphylococcus aureus	Staphylococcus aureus	MIC	2.5	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	3.1	ug.mL-1	10.1021/jm00178a011
Staphylococcus aureus	Staphylococcus aureus	MIC	3.1	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	3.13	ug.mL-1	10.1016/j.bmcl.2018.07.018
Staphylococcus aureus	Staphylococcus aureus	MIC	3.3	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	3.8	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	3.9	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	4.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Staphylococcus aureus	Staphylococcus aureus	MIC	4.0	ug.mL-1	10.1021/jm00150a022
Staphylococcus aureus	Staphylococcus aureus	MIC	4.0	ug.mL-1	10.1021/jm00150a023
Staphylococcus aureus	Staphylococcus aureus	MIC	4.0	ug.mL-1	10.1021/jm00150a024
Staphylococcus aureus	Staphylococcus aureus	MIC	4.5	ug.mL-1	10.1021/jm00219a009
Staphylococcus aureus	Staphylococcus aureus	MIC	4.6	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	5.0	ug.mL-1	10.1021/jm00218a018
Staphylococcus aureus	Staphylococcus aureus	MIC	5.0	ug.mL-1	10.1021/jm00218a019
Staphylococcus aureus	Staphylococcus aureus	MIC	6.2	ug.mL-1	10.1021/jm00197a026
Staphylococcus aureus	Staphylococcus aureus	MIC	6.6	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	8.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Staphylococcus aureus	Staphylococcus aureus	MIC	10.0	ug.mL-1	10.1016/j.ejmech.2007.06.013
Staphylococcus aureus	Staphylococcus aureus	MIC	10.6	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	10.7	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	14.7	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC	20.0	ug.mL-1	10.1021/jm00126a041
Staphylococcus aureus	Staphylococcus aureus	MIC	72.0	ug.mL-1	10.1016/j.ejmech.2020.112245
Staphylococcus aureus	Staphylococcus aureus	MIC	72.0	ug.mL-1	10.1016/j.ejmech.2020.113134
Staphylococcus aureus	Staphylococcus aureus	MIC	128.0	ug.mL-1	10.1016/j.ejmech.2008.10.006
Staphylococcus aureus	Staphylococcus aureus	MIC	128.0	ug.mL-1	10.1021/jm00150a022
Staphylococcus aureus	Staphylococcus aureus	MIC	128.0	ug.mL-1	10.1021/jm00150a023
Staphylococcus aureus	Staphylococcus aureus	MIC	128.0	ug.mL-1	10.1021/jm00150a024
Staphylococcus aureus	Staphylococcus aureus	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Staphylococcus aureus	Staphylococcus aureus	MIC	4600.0	nM	10.1007/s00044-009-9175-y
Staphylococcus aureus	Staphylococcus aureus	MIC	72000.0	nM	10.1007/s00044-009-9175-y
Staphylococcus aureus	Staphylococcus aureus	MIC90	4.0	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC90	8.0	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC90	16.0	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC90	32.0	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	MIC90	64.0	ug.mL-1	10.1128/aac.01325-09
Staphylococcus aureus	Staphylococcus aureus	Zone reduction	48.0	%	10.1021/jm00369a001
Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	12.5	ug.mL-1	10.1021/jm00197a026
Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	32.0	ug.mL-1	10.1021/jm00150a022
Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	32.0	ug.mL-1	10.1021/jm00150a023
Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	32.0	ug.mL-1	10.1021/jm00150a024
Stenotrophomonas maltophilia	Stenotrophomonas maltophilia	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2018.07.018
Sternbergia lutea	Sternbergia lutea	MIC	0.03	ug.mL-1	10.1021/jm00155a013
Streptococcus	Streptococcus	MIC	128.0	ug.mL-1	10.1021/jm00150a022
Streptococcus	Streptococcus	MIC	128.0	ug.mL-1	10.1021/jm00150a023
Streptococcus	Streptococcus	MIC	128.0	ug.mL-1	10.1021/jm00150a024
Streptococcus pasteurianus	Streptococcus pasteurianus	ED50	38.7	mg.kg-1	10.1021/jm00197a026
Streptococcus pasteurianus	Streptococcus pasteurianus	MIC	1.6	ug.mL-1	10.1021/jm00197a026
Streptococcus pneumoniae	Streptococcus pneumoniae	ED50	23.0	mg 2kg-1	10.1021/jm00150a022
Streptococcus pneumoniae	Streptococcus pneumoniae	ED50	51.0	mg 2kg-1	10.1021/jm00150a022
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	0.5	ug.mL-1	10.1021/jm00401a020
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	1.6	ug.mL-1	10.1021/jm00178a011
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	2.0	ug.mL-1	10.1021/jm00150a023
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	2.0	ug.mL-1	10.1021/jm00150a024
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	4.0	ug.mL-1	10.1021/jm00150a022
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	6.25	ug.mL-1	10.1016/j.bmcl.2018.07.018
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	100.0	ug.mL-1	10.1021/jm00197a026
Streptococcus pyogenes	Streptococcus pyogenes	ED50	1.2	mg.kg-1	10.1021/jm00197a026
Streptococcus pyogenes	Streptococcus pyogenes	ED50	2.9	mg 2kg-1	10.1021/jm00150a022
Streptococcus pyogenes	Streptococcus pyogenes	ED50	3.3	mg 2kg-1	10.1021/jm00150a022
Streptococcus pyogenes	Streptococcus pyogenes	ED50	3.4	mg.kg-1	10.1021/jm00197a026
Streptococcus pyogenes	Streptococcus pyogenes	MIC	0.4	ug.mL-1	10.1021/jm00178a011
Streptococcus pyogenes	Streptococcus pyogenes	MIC	0.5	ug.mL-1	10.1021/jm00150a022
Streptococcus pyogenes	Streptococcus pyogenes	MIC	0.5	ug.mL-1	10.1021/jm00150a023
Streptococcus pyogenes	Streptococcus pyogenes	MIC	0.5	ug.mL-1	10.1021/jm00150a024
Streptococcus pyogenes	Streptococcus pyogenes	MIC	0.5	ug.mL-1	10.1021/jm00401a020
Streptococcus pyogenes	Streptococcus pyogenes	MIC	0.8	ug.mL-1	10.1021/jm00197a026
Streptococcus pyogenes	Streptococcus pyogenes	MIC	1.0	ug.mL-1	10.1021/jm00150a022
Streptococcus pyogenes	Streptococcus pyogenes	MIC	3.13	ug.mL-1	10.1016/j.bmcl.2018.07.018
None	ADMET	CL	3.9	mL.min-1.kg-1	10.1124/dmd.108.020479
None	ADMET	Drug excretion	32.0	%	10.1124/dmd.112.049312
None	ADMET	Drug recovery	99.0	%	10.1021/jm00217a022
None	ADMET	k	0.058	hr-1	10.1021/jm00371a025
None	ADMET	k	0.0685	hr-1	10.1021/jm00401a026
None	ADMET	k	0.145	hr-1	10.1021/jm00371a025
None	ADMET	MRT	0.89	hr	10.1124/dmd.108.020479
None	ADMET	Papp	0.015	10'6cm/s	10.1016/j.ejmech.2009.03.039
None	ADMET	permeability	1.56	10'-4 cm/s	10.1021/jm901846t
None	ADMET	Stability	nan	%	10.1021/acs.jmedchem.5b01833
None	ADMET	T1/2	0.08333	hr	10.1016/S0960-894X(01)80141-4
None	ADMET	T1/2	0.57	hr	10.1124/dmd.108.020479
None	ADMET	Vdss	0.21	L.kg-1	10.1124/dmd.108.020479
None	Hepatotoxicity	Alkaline Phosphatase Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	Alkaline Phosphatase Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	Alkaline Phosphatase Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	Composite Activity - Active	0.0	None	10.2174/1570163043334794
None	Hepatotoxicity	Composite Activity - Marginal	0.0	None	10.2174/1570163043334794
None	Hepatotoxicity	Composite Activity - Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	GGT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	GGT Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	GGT Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	HepSE_bilirubinemia	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cholecystitis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cholelithiasis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cirrhosis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_Combined Scores	2.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_elevated liver function tests	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatic failure	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatic necrosis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatitis	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatomegaly	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_jaundice	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver disease	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver fatty	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver function tests abnormal	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	LDH Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	LDH Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	LDH Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGOT Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Activity Score	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Index Value	nan	None	10.2174/1570163043334794
None	Hepatotoxicity	SGPT Increase - Number of Reports	nan	None	10.2174/1570163043334794
None	NON-PROTEIN TARGET	Fu	0.85	None	10.1124/dmd.108.020479
None	NON-PROTEIN TARGET	Hepatotoxicity (acute)	0.0	%	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (animal toxicity known)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (benign tumour)	0.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (granulomatous hepatitis)	1.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (mechanism)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	4.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	4.8	%	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (time to onset)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	IC50	41600.0	nM	10.1021/jm031022+
None	NON-PROTEIN TARGET	MIC	3.1	ug.mL-1	10.1021/jm00178a011
None	NON-PROTEIN TARGET	MIC	5.5	ug.mL-1	10.1021/jm00219a009
None	No relevant target	Daq	7.0	10'-6cm2/s	10.1021/jm901846t
None	No relevant target	LogD	-1.0	None	10.1021/jm970530e
None	No relevant target	LogP	-0.47	None	10.1021/jm901846t
None	No relevant target	log Pe	-9.99	None	10.1021/acs.jmedchem.5b01833
None	No relevant target	permeability	0.0001	ucm/s	10.1021/acs.jmedchem.5b01833
None	No relevant target	pKa	2.53	None	10.1007/s11095-013-1232-z
None	No relevant target	pKa	2.55	None	10.1021/jm901846t
None	No relevant target	pKa	7.14	None	10.1007/s11095-013-1232-z
None	No relevant target	Solubility	75800.0	nM	10.1021/acs.jmedchem.5b01833
None	No relevant target	Stability	0.0	%	10.1021/acs.jmedchem.5b01833
None	No relevant target	Stability	50.0	%	10.1021/acs.jmedchem.5b01833
None	No relevant target	Stability	73.7	%	10.1021/acs.jmedchem.5b01833
None	No relevant target	Stability	100.0	%	10.1021/acs.jmedchem.5b01833
None	No relevant target	Stability	102.0	%	10.1021/acs.jmedchem.5b01833
None	Unchecked	Ac50	0.631	uM	None
None	Unchecked	Ac50	1.259	uM	None
None	Unchecked	Ac50	1.413	uM	None
None	Unchecked	Ac50	35.48	uM	None
None	Unchecked	AC50	631.0	nM	None
None	Unchecked	AC50	1258.9	nM	None
None	Unchecked	AC50	1420.0	nM	None
None	Unchecked	AC50	35481.3	nM	None
None	Unchecked	Hepatotoxicity (acute)	6.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (association with vascular disease)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (choleostasis)	4.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (chronic liver disease)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (cirrhosis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (comment)	nan	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (cytolytic)	3.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (malignant tumour)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (severe hepatitis)	2.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (steatosis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (successful reintroduction)	nan	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	IC50	40000.0	nM	None
None	Unchecked	IC50	nan	None	None
None	Unchecked	Kcat	160.0	/s	10.1128/aac.01252-09
None	Unchecked	Kcat/Km	9.3	10'6/M/s	10.1128/aac.01252-09
None	Unchecked	Ki	0.23	/M/s	10.1021/ml400408c
None	Unchecked	Ki	35200.0	nM	10.1021/jm031022+
None	Unchecked	Ki	nan	None	None
None	Unchecked	Km	17000.0	nM	10.1128/aac.01252-09
None	Unchecked	MIC	0.4	ug.mL-1	10.1021/jm00126a041
None	Unchecked	MIC	0.58	ug.mL-1	10.1021/jm00365a019
None	Unchecked	MIC	2.0	ug.mL-1	10.1021/jm00126a041
None	Unchecked	MIC	24.9	ug.mL-1	10.1021/jm00365a019
None	Unchecked	MIC	100.0	ug.mL-1	10.1021/jm00126a041

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT006901	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_15399
AKRT006943	CC1=C(C(=O)O)N2C(=O)C(N)C2SC1.N[C@@H](C(=O)O)c1ccccc1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	MNXR129398
AKRT006944	CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.CC(C)OC(=O)[C@H](N)c1ccccc1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_52957
AKRT006945	CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.NC(=O)[C@H](N)c1ccccc1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_76092
AKRT006946	CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.NC(C(=O)O)c1ccccc1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_52969
AKRT006947	CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.N[C@@H](C(=O)O)c1ccccc1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_76163
AKRT006951	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	MNXR133243
AKRT006952	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)C(N)C2SC1	enzymemap_76064
AKRT006953	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)C(N)C2SC1.N[C@@H](C(=O)O)c1ccccc1	None
AKRT006954	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1	enzymemap_52969
AKRT006955	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.N[C@@H](C(=O)O)c1ccccc1	None
AKRT006956	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>CC1=C(C(=O)O)N[C@@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)SC1	enzymemap_76191
AKRT006957	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>NC(=O)[C@H](N)c1ccccc1	enzymemap_76092
AKRT006958	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>NC(C(=O)O)c1ccccc1	enzymemap_52969
AKRT006959	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1>>N[C@@H](C(=O)O)c1ccccc1	enzymemap_53018
AKRT009456	CCCCOC(=O)[C@H](N)c1ccccc1.CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_52954
AKRT009543	CCCOC(=O)[C@H](N)c1ccccc1.CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_52956
AKRT009738	CCOC(=O)[C@H](N)c1ccccc1.CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_52955
AKRT011132	COC(=O)[C@H](N)c1ccccc1.CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1>>CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1	enzymemap_52968