Molecule

Liothyronine

AlkaPlorer ID: AK014545

Synonym: None

IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid

Structure

SMILES: N[C@@H](CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1)C(=O)O

InChI: InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1

InChIKey: AUYYCJSJGJYCDS-LBPRGKRZSA-N

Reference

A community-driven global reconstruction of human metabolism

PubChem CID: 7048703

LOTUS: LTS0118570

SuperNatural Ⅲ: SN0016100-02

NPASS: NPC282087

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
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 650.9760000000001

TPSA？: 92.78000000000002

MolLogP？: 3.952700000000001

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Progesterone receptor	IC50	nan	None	None
Bos taurus	Progesterone receptor	Ki	nan	None	None
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
Homo sapiens	Acetylcholinesterase	IC50	nan	None	None
Homo sapiens	Acetylcholinesterase	Ki	nan	None	None
Homo sapiens	Adenosine A1 receptor	AC50	2940.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A1 receptor	IC50	410.9	nM	None
Homo sapiens	Adenosine A1 receptor	Ki	239.7	nM	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	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	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	Androgen Receptor	IC50	50000.0	nM	10.1021/jm201098n
Homo sapiens	Androgen Receptor	Inhibition	24.0	%	10.1073/pnas.0708036104
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	Aryl hydrocarbon receptor	Potency	56234.1	nM	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	Beta-glucocerebrosidase	Potency	56234.1	nM	None
Homo sapiens	Bile acid receptor FXR	Potency	14125.4	nM	None
Homo sapiens	Bile salt export pump	AC50	79000.5	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bile salt export pump	IC50	11270.0	nM	10.1002/hep.27206
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-containing protein 4	Delta TM	0.69	C	None
Homo sapiens	Calcitonin receptor	IC50	nan	None	None
Homo sapiens	Calcitonin receptor	Ki	nan	None	None
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	Casein kinase I delta	Delta TM	-0.2576	C	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	Chromobox protein homolog 1	Potency	79432.8	nM	None
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	Cyclin-dependent kinase 2	Delta TM	0.539	C	None
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	Inhibition	nan	%	10.1021/tx300075j
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	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 2C19	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C9	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 2C9	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2D6	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	Inhibition	nan	%	10.1021/tx300075j
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	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 3A4	Ki	nan	None	None
Homo sapiens	Delta opioid receptor	AC50	10000.0	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	30000.0	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 alpha	Potency	891.3	nM	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	Fibroblast	Growth Rate	0.0	None	10.6019/CHEMBL4689842
Homo sapiens	Fibroblast	Growth Rate	1.0	None	10.6019/CHEMBL4689842
Homo sapiens	Fibroblast growth factor receptor 3	Delta TM	0.2359	C	None
Homo sapiens	GABA-A receptor; anion channel	IC50	23000.0	nM	10.1021/jm9904349
Homo sapiens	GABA-B receptor 1	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Gastric inhibitory polypeptide receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Geminin	Potency	103.2	nM	None
Homo sapiens	Geminin	Potency	33498.3	nM	None
Homo sapiens	Ghrelin receptor	AC50	10290.1	nM	10.1038/s41467-023-40064-9
Homo sapiens	Glucagon-like peptide 1 receptor	Potency	10000.0	nM	None
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	Glycogen synthase kinase-3 beta	Delta TM	-0.5562	C	None
Homo sapiens	HEK-293T	Growth Rate	0.0	None	10.6019/CHEMBL4689842
Homo sapiens	HEK-293T	Growth Rate	1.0	None	10.6019/CHEMBL4689842
Homo sapiens	Hepatocyte nuclear factor 4-alpha	Activity	nan	None	10.1021/acs.jmedchem.9b02150
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	IC50	nan	None	None
Homo sapiens	Histamine H2 receptor	Ki	nan	None	None
Homo sapiens	Histone deacetylase 6	Inhibition	-12.11	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	2.04	%	10.6019/CHEMBL4808148
Homo sapiens	HMG-CoA reductase	IC50	nan	None	None
Homo sapiens	HMG-CoA reductase	Ki	nan	None	None
Homo sapiens	Homo sapiens	Activity	nan	None	10.1002/hep.27206
Homo sapiens	Homo sapiens	Cmax	108.0	nM	10.1002/hep.27206
Homo sapiens	Homo sapiens	DILI_Concern	nan	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	DILI_severity_class	0.0	None	10.1016/j.drudis.2016.02.015
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	Liver microsomes	Activity	nan	None	10.1021/tx300075j
Homo sapiens	Liver microsomes	Stability	nan	%	10.1021/tx300075j
Homo sapiens	MAP kinase ERK1	IC50	nan	None	None
Homo sapiens	MAP kinase ERK1	Ki	nan	None	None
Homo sapiens	MAP kinase ERK2	Delta TM	0.2632	C	None
Homo sapiens	MAP kinase ERK2	IC50	nan	None	None
Homo sapiens	MAP kinase ERK2	Ki	nan	None	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	Menin/Histone-lysine N-methyltransferase MLL	Potency	7943.3	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	39810.7	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	Mu opioid receptor	AC50	10000.0	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	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M2	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M3	AC50	30000.0	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	Muscleblind-like protein 1	Potency	79432.8	nM	None
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	Neuropeptide S receptor	Potency	794.3	nM	None
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	Nuclear factor erythroid 2-related factor 2	Potency	48557.7	nM	None
Homo sapiens	Peregrin	Delta TM	-0.747	C	None
Homo sapiens	Peroxisome proliferator-activated receptor gamma	Activity	nan	None	10.1021/acs.jmedchem.9b02150
Homo sapiens	Peroxisome proliferator-activated receptor gamma	EC50	5800.0	nM	10.1021/acs.jmedchem.9b02150
Homo sapiens	Peroxisome proliferator-activated receptor gamma	FC	1.8	None	10.1021/acs.jmedchem.9b02150
Homo sapiens	Peroxisome proliferator-activated receptor gamma	Kd	710.0	nM	10.1021/acs.jmedchem.9b02150
Homo sapiens	P-glycoprotein 1	Activity	nan	None	10.1152/ajpgi.00344.2001
Homo sapiens	Phosphodiesterase 3A	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4D	AC50	10000.0	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	Prelamin-A/C	Potency	2818.4	nM	None
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Proliferating cell nuclear antigen	IC50	3600.0	nM	10.1016/j.bmc.2013.01.022
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	Retinoid X receptor alpha	EC50	nan	None	10.1021/acs.jmedchem.9b02150
Homo sapiens	Retinoid X receptor alpha	Kd	nan	None	10.1021/acs.jmedchem.9b02150
Homo sapiens	Serine/threonine-protein kinase Aurora-A	Delta TM	0.0105	C	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 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	10000.0	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	10000.0	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	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 6 (5-HT6) receptor	AC50	10000.0	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 7 (5-HT7) receptor	AC50	10000.0	nM	10.1038/s41467-023-40064-9
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	Sigma opioid receptor	IC50	nan	None	None
Homo sapiens	Sigma opioid receptor	Ki	nan	None	None
Homo sapiens	Solute carrier organic anion transporter family member 1A2	Km	6500.0	nM	10.1210/endo.142.5.8115
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Km	2700.0	nM	10.1074/jbc.274.24.17159
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Activity	nan	None	10.1053/gast.2001.21176
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Km	6400.0	nM	10.1053/gast.2001.24804
Homo sapiens	Solute carrier organic anion transporter family member 1C1	Activity	nan	None	10.1210/me.2001-0309
Homo sapiens	Solute carrier organic anion transporter family member 4A1	Activity	nan	None	10.1210/endo.142.5.8115
Homo sapiens	Solute carrier organic anion transporter family member 4A1	Km	900.0	nM	10.1210/endo.142.5.8115
Homo sapiens	Solute carrier organic anion transporter family member 4C1	Km	5900.0	nM	10.1073/pnas.0304987101
Homo sapiens	Sulfotransferase 1A1	Activity	nan	None	None
Homo sapiens	Sulfotransferase 4A1	Activity	nan	None	None
Homo sapiens	Sulfotransferase family cytosolic 1B member 1	Activity	nan	None	None
Homo sapiens	Thrombin	EC50	1.2	nM	10.1021/acs.jmedchem.9b02150
Homo sapiens	Thrombin	EC50	6.2	nM	10.1021/acs.jmedchem.9b02150
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	Thyroid hormone receptor	Ratio	0.01	None	10.1021/jm00384a014
Homo sapiens	Thyroid hormone receptor	Ratio	0.8	None	10.1016/s0960-894x(02)00947-2
Homo sapiens	Thyroid hormone receptor	Selectivity	0.9	None	10.1016/j.bmcl.2005.06.093
Homo sapiens	Thyroid hormone receptor	Selectivity	1.0	None	10.1021/jm0301181
Homo sapiens	Thyroid hormone receptor alpha	Activation	100.0	%	10.1021/jm0201013
Homo sapiens	Thyroid hormone receptor alpha	Activity	100.0	%	10.1016/j.bmc.2012.03.056
Homo sapiens	Thyroid hormone receptor alpha	Activity	100.0	%	10.1016/j.bmc.2012.12.002
Homo sapiens	Thyroid hormone receptor alpha	Activity	100.0	%	10.1021/acs.jmedchem.2c00144
Homo sapiens	Thyroid hormone receptor alpha	Activity	100.0	%	10.1021/jm4019299
Homo sapiens	Thyroid hormone receptor alpha	Activity	nan	None	10.1016/j.bmc.2012.12.002
Homo sapiens	Thyroid hormone receptor alpha	Activity	nan	None	10.1021/acsmedchemlett.8b00501
Homo sapiens	Thyroid hormone receptor alpha	Delta Tm	5.7	degrees C	10.1021/acs.jmedchem.2c00144
Homo sapiens	Thyroid hormone receptor alpha	EC50	0.41	nM	10.1016/j.bmcl.2014.09.053
Homo sapiens	Thyroid hormone receptor alpha	EC50	0.5	nM	10.1021/acs.jmedchem.9b02150
Homo sapiens	Thyroid hormone receptor alpha	EC50	0.7	nM	10.1021/acs.jmedchem.2c01669
Homo sapiens	Thyroid hormone receptor alpha	EC50	2.0	nM	10.1016/s0960-894x(02)00947-2
Homo sapiens	Thyroid hormone receptor alpha	EC50	2.0	nM	10.1021/jm0201013
Homo sapiens	Thyroid hormone receptor alpha	EC50	2.1	nM	10.1016/j.bmc.2013.11.001
Homo sapiens	Thyroid hormone receptor alpha	EC50	2.4	nM	10.1016/j.bmc.2007.10.040
Homo sapiens	Thyroid hormone receptor alpha	EC50	3.4	nM	10.1021/acs.jmedchem.9b02150
Homo sapiens	Thyroid hormone receptor alpha	EC50	10.0	nM	10.1021/jm4019299
Homo sapiens	Thyroid hormone receptor alpha	EC50	29.7	nM	10.1021/acs.jmedchem.2c00144
Homo sapiens	Thyroid hormone receptor alpha	EC50	30.0	nM	10.1021/acs.jmedchem.2c00641
Homo sapiens	Thyroid hormone receptor alpha	IC50	0.24	nM	10.1016/j.bmcl.2005.06.093
Homo sapiens	Thyroid hormone receptor alpha	IC50	0.24	nM	10.1016/j.bmcl.2007.05.049
Homo sapiens	Thyroid hormone receptor alpha	IC50	3.2	nM	10.1016/j.bmc.2013.11.001
Homo sapiens	Thyroid hormone receptor alpha	Kd	0.058	nM	10.1016/j.bmc.2007.10.040
Homo sapiens	Thyroid hormone receptor alpha	Kd	0.06	nM	10.1021/jm0301181
Homo sapiens	Thyroid hormone receptor alpha	Kd	0.1	nM	10.1021/jm0201013
Homo sapiens	Thyroid hormone receptor alpha	Kd	0.17	nM	10.1016/s0960-894x(01)00521-2
Homo sapiens	Thyroid hormone receptor alpha	Ki	0.22	nM	10.1073/pnas.0702759104
Homo sapiens	Thyroid hormone receptor alpha	Ki	0.33	nM	10.1021/jm800824d
Homo sapiens	Thyroid hormone receptor alpha	Ki	2.33	nM	10.1016/j.bmc.2012.03.056
Homo sapiens	Thyroid hormone receptor alpha	Ki	2.33	nM	10.1016/j.bmc.2012.12.002
Homo sapiens	Thyroid hormone receptor beta-1	Activation	100.0	%	10.1021/jm0201013
Homo sapiens	Thyroid hormone receptor beta-1	Activity	100.0	%	10.1016/j.bmc.2012.03.056
Homo sapiens	Thyroid hormone receptor beta-1	Activity	100.0	%	10.1016/j.bmc.2012.12.002
Homo sapiens	Thyroid hormone receptor beta-1	Activity	100.0	%	10.1021/acs.jmedchem.2c00144
Homo sapiens	Thyroid hormone receptor beta-1	Activity	100.0	%	10.1021/jm4019299
Homo sapiens	Thyroid hormone receptor beta-1	Activity	nan	None	10.1016/j.bmc.2012.12.002
Homo sapiens	Thyroid hormone receptor beta-1	Activity	nan	None	10.1021/acsmedchemlett.8b00501
Homo sapiens	Thyroid hormone receptor beta-1	EC50	1.1	nM	10.1021/acs.jmedchem.2c01669
Homo sapiens	Thyroid hormone receptor beta-1	EC50	2.0	nM	10.1016/j.bmc.2013.11.001
Homo sapiens	Thyroid hormone receptor beta-1	EC50	2.0	nM	10.1016/s0960-894x(02)00947-2
Homo sapiens	Thyroid hormone receptor beta-1	EC50	2.0	nM	10.1021/jm0201013
Homo sapiens	Thyroid hormone receptor beta-1	EC50	2.4	nM	10.1016/j.bmc.2007.10.040
Homo sapiens	Thyroid hormone receptor beta-1	EC50	10.0	nM	10.1021/acs.jmedchem.2c00641
Homo sapiens	Thyroid hormone receptor beta-1	EC50	11.0	nM	10.1016/j.bmc.2007.10.040
Homo sapiens	Thyroid hormone receptor beta-1	EC50	15.0	nM	10.1021/jm4019299
Homo sapiens	Thyroid hormone receptor beta-1	EC50	35.2	nM	10.1021/acs.jmedchem.2c00144
Homo sapiens	Thyroid hormone receptor beta-1	IC50	0.257	nM	10.1016/j.bmc.2007.05.016
Homo sapiens	Thyroid hormone receptor beta-1	IC50	0.26	nM	10.1016/j.bmcl.2005.06.093
Homo sapiens	Thyroid hormone receptor beta-1	IC50	0.26	nM	10.1016/j.bmcl.2007.05.049
Homo sapiens	Thyroid hormone receptor beta-1	IC50	2.9	nM	10.1016/j.bmc.2013.11.001
Homo sapiens	Thyroid hormone receptor beta-1	Kd	0.081	nM	10.1016/j.bmc.2007.10.040
Homo sapiens	Thyroid hormone receptor beta-1	Kd	0.087	nM	10.1021/jm0301181
Homo sapiens	Thyroid hormone receptor beta-1	Kd	0.1	nM	10.1021/jm0201013
Homo sapiens	Thyroid hormone receptor beta-1	Kd	0.14	nM	10.1016/s0960-894x(01)00521-2
Homo sapiens	Thyroid hormone receptor beta-1	Ki	0.08	nM	10.1016/s0960-894x(02)00947-2
Homo sapiens	Thyroid hormone receptor beta-1	Ki	0.55	nM	10.1073/pnas.0702759104
Homo sapiens	Thyroid hormone receptor beta-1	Ki	0.68	nM	10.1021/jm800824d
Homo sapiens	Thyroid hormone receptor beta-1	Ki	2.29	nM	10.1016/j.bmc.2012.03.056
Homo sapiens	Thyroid hormone receptor beta-1	Ki	2.29	nM	10.1016/j.bmc.2012.12.002
Homo sapiens	Thyroid hormone receptor beta-1	Potency	7943.3	nM	None
Homo sapiens	Thyroxine-binding globulin	Activity	9.0	%	10.1021/jm00179a024
Homo sapiens	Thyroxine-binding globulin	log(%)	0.954	None	10.1021/jm00217a001
Homo sapiens	Thyroxine-binding globulin	RBA	9.0	%	10.1021/jm00217a001
Homo sapiens	Transcription intermediary factor 1-alpha	Delta TM	0.463	C	None
Homo sapiens	Transthyretin	Binding affinity	2.0	None	10.1021/jm00155a010
Homo sapiens	Transthyretin	Concentration	6e-07	M	10.1021/jm00155a010
Homo sapiens	Type-1 angiotensin II receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Tyrosine-protein kinase ABL	Delta TM	-0.06203	C	None
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	21136.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	29855.4	nM	None
Homo sapiens	U2OS	Growth Rate	0.0	None	10.6019/CHEMBL4689842
Homo sapiens	U2OS	Growth Rate	1.0	None	10.6019/CHEMBL4689842
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	50118.7	nM	None
Homo sapiens	UDP-glucuronosyltransferase 1-1	Activity	0.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
Homo sapiens	UDP-glucuronosyltransferase 1-6	Activity	0.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
Homo sapiens	UDP-glucuronosyltransferase 1-9	Activity	0.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
Homo sapiens	UDP-glucuronosyltransferase 1-9	Activity	100.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
Homo sapiens	UDP-glucuronosyltransferase 1A4	Activity	0.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
Homo sapiens	UDP-glucuronosyltransferase 2B15	Activity	0.0	pm/min/mg	10.1146/annurev.pharmtox.40.1.581
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
Mus musculus	Mus musculus	Activity	-42.4	%	10.1073/pnas.0702759104
Mus musculus	Mus musculus	Activity	9.5	%	10.1073/pnas.0702759104
Mus musculus	Mus musculus	Activity	10.0	%	10.1021/jm4019299
Mus musculus	Mus musculus	Activity	nan	None	10.1016/j.bmc.2017.03.047
Mus musculus	Mus musculus	Activity	nan	None	10.1021/jm4019299
Mus musculus	Mus musculus	Activity	nan	None	10.1073/pnas.0702759104
Mus musculus	Mus musculus	ED50	0.09	umol.kg-1	10.1016/j.bmc.2017.03.047
Mus musculus	Mus musculus	FC	1.39	None	10.1073/pnas.0702759104
Mus musculus	Mus musculus	FC	1.4	None	10.1016/j.bmcl.2016.06.064
Mus musculus	Mus musculus	FC	2.04	None	10.1073/pnas.0702759104
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 8	Activity	39.8	%	10.1124/jpet.103.063370
Mus musculus	Solute carrier organic anion transporter family member 1C1	Ki	24200.0	nM	10.1210/en.2004-0058
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
Plasmodium falciparum	Plasmodium falciparum	Potency	13459.1	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	19011.5	nM	None
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	Bile acid transporter	Activity	nan	None	10.1006/bbrc.1998.9974
Rattus norvegicus	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	GABA-A receptor; anion channel	EC50	7000.0	nM	10.1021/jm9904349
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	Glycerol-3-phosphate dehydrogenase	GDPactivity	7.5	nM min-1 mg-1	10.1021/jm00081a017
Rattus norvegicus	Glycerol-3-phosphate dehydrogenase	GDPactivity	18.3	nM min-1 mg-1	10.1021/jm00081a017
Rattus norvegicus	Glycerol-3-phosphate dehydrogenase	L-T3	100.0	%	10.1021/jm00081a017
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	Liver	IC50	nan	None	10.1002/hep.27206
Rattus norvegicus	Monocarboxylate transporter 10	Activity	nan	None	10.1074/jbc.m009462200
Rattus norvegicus	Monocarboxylate transporter 8	Activity	57.0	%	10.1074/jbc.m300909200
Rattus norvegicus	Monocarboxylate transporter 8	Activity	62.0	%	10.1074/jbc.m300909200
Rattus norvegicus	NADP-dependent malic enzyme	L-T3	100.0	%	10.1021/jm00081a017
Rattus norvegicus	NADP-dependent malic enzyme	ME increase	19.5	nM min-1 mg-1	10.1021/jm00081a017
Rattus norvegicus	NADP-dependent malic enzyme	ME increase	31.8	nM min-1 mg-1	10.1021/jm00081a017
Rattus norvegicus	Nitric-oxide synthase, brain	IC50	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	Ki	nan	None	None
Rattus norvegicus	Peripheral myelin protein 22	Potency	11423.9	nM	None
Rattus norvegicus	Rattus norvegicus	Activity	0.001365	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.0031	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.0139	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.081	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.0978	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.1	uIU/ml	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	0.14	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.334	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.42	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.49	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.57	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.9	ug/dl	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	0.93	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	0.937	mM	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	1.25	g	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	1.43	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	4.06	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	4.18	U/min	10.1021/jm800824d
Rattus norvegicus	Rattus norvegicus	Activity	4.2	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	4.3	g	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	7.52	U/min	10.1021/jm800824d
Rattus norvegicus	Rattus norvegicus	Activity	8.4	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	16.2	%	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	16.45	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	22.0	mg/dl	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	25.0	mg/dl	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	28.0	mg/dl	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	31.0	ng/dl	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	37.3	ng/ml	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	Activity	61.0	mg/dl	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	100.0	%	10.1021/jm00217a001
Rattus norvegicus	Rattus norvegicus	Activity	101.0	None	10.1021/jm00081a017
Rattus norvegicus	Rattus norvegicus	Activity	123.0	mg/dl	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	138.0	None	10.1021/jm00081a017
Rattus norvegicus	Rattus norvegicus	Activity	251.0	None	10.1021/jm00081a017
Rattus norvegicus	Rattus norvegicus	Activity	430.0	bpm	10.1016/j.bmc.2013.11.001
Rattus norvegicus	Rattus norvegicus	Activity	545.0	%	10.1021/jm00227a004
Rattus norvegicus	Rattus norvegicus	Activity	nan	None	10.1021/jm4019299
Rattus norvegicus	Rattus norvegicus	Activity	nan	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	ALB	41000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	41300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	42700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	43000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	43700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	45700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	321.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	396.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	403.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	421.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	525.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	576.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	48.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	51.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	52.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	60.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	69.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	70.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	75.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	80.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	82.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	87.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	110.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	112.0	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	1.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.3	ug.mL-1	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	126.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	146.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	150.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	153.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	173.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Change	-65.0	%	10.1021/jm00004a015
Rattus norvegicus	Rattus norvegicus	Change	-8.0	%	10.1021/jm00004a015
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	103.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	103.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	104.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	105.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	763.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	796.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	823.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	860.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	880.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	946.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	182.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	218.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	257.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	347.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	376.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	402.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	26670000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	29670000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	31000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	31330000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	32670000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.2	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.6	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.9	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Developed tension	12.7	%	10.1016/s0960-894x(00)00309-7
Rattus norvegicus	Rattus norvegicus	Developed tension	18.2	%	10.1016/s0960-894x(00)00309-7
Rattus norvegicus	Rattus norvegicus	DOSE	0.025	mg.kg-1	10.1021/jm00004a015
Rattus norvegicus	Rattus norvegicus	ED15	31.0	nmol/kg/day	10.1016/j.bmcl.2007.05.049
Rattus norvegicus	Rattus norvegicus	ED30	1.87	nmol/Kg	10.1016/j.bmc.2012.03.056
Rattus norvegicus	Rattus norvegicus	ED30	6.7	nmol/kg/day	10.1016/j.bmcl.2007.05.049
Rattus norvegicus	Rattus norvegicus	ED50	0.00595	umol.kg-1	10.1016/j.bmc.2012.03.056
Rattus norvegicus	Rattus norvegicus	ED50	0.012	mg.kg-1	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	ED50	0.1	mg.kg-1	10.1021/jm00004a015
Rattus norvegicus	Rattus norvegicus	ED50	21.0	nmol/kg/day	10.1016/j.bmcl.2007.05.049
Rattus norvegicus	Rattus norvegicus	EOS	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	19.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	48.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	72.67	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	EOSLE	0.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	FC	6.644	None	10.1073/pnas.0702759104
Rattus norvegicus	Rattus norvegicus	GLUC	1326.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1440.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1463.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1486.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1743.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1810.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	29.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.3	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.53	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	34.1	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	34.2	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	37.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Heart rate	52.5	None	10.1016/s0960-894x(00)00309-7
Rattus norvegicus	Rattus norvegicus	Heart weight	38.9	None	10.1016/s0960-894x(00)00309-7
Rattus norvegicus	Rattus norvegicus	HGB	115300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	124300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	127700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	131000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	131300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	143700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	88.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	98.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	105.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	156.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	167.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	196.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	8.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	12.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	13.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	14.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	log(%)	2.0	None	10.1021/jm00217a001
Rattus norvegicus	Rattus norvegicus	log(activity)	2.74	None	10.1021/jm00227a004
Rattus norvegicus	Rattus norvegicus	LYM	3351.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	4849.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	5590.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	11723.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	12680.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	13461.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	80.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	87.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	88.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	89.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	91.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	22.27	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	22.83	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.33	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.4	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.9	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.67	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	373300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	373700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	384700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	388000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	389000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	391700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	59.57	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	59.8	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	59.87	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	61.17	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	61.5	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	64.17	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MED	25.0	ug kg-1	10.1021/jm00004a015
Rattus norvegicus	Rattus norvegicus	MONO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	14.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	38.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	132.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	261.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	379.67	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	MONOLE	1.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	1.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	2.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	7.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	9.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	10.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	11.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	19.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	543.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	660.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	800.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1067.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1362.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1443.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	114.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	123.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	124.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	126.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	137.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	156.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	653330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	792670.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	889000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	967330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	972330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1001000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.09	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.56	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.79	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	7.38	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	7.47	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	56700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	58000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	60300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	61300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	63000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	64700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Ratio	0.3	None	10.1016/j.bmcl.2007.05.049
Rattus norvegicus	Rattus norvegicus	Ratio	0.31	None	10.1016/j.bmc.2012.03.056
Rattus norvegicus	Rattus norvegicus	Ratio	1.5	None	10.1016/j.bmcl.2007.05.049
Rattus norvegicus	Rattus norvegicus	RBC	4950000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5310000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5590000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5610000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6020000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.0	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.33	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.67	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.9	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	146.23	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	146.47	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	147.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	147.27	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	149.43	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	T3	100.0	%	10.1021/jm00081a017
Rattus norvegicus	Rattus norvegicus	Tissue Severity Score	nan	None	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	13.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	13.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	14.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	22.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	24.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	24.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	4170.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	5570.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	6130.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	13270.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14200.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	15170.0	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 organic anion transporter family member 1A1	Activity	nan	None	10.1006/bbrc.1998.9974
Rattus norvegicus	Solute carrier organic anion transporter family member 1A3	Activity	nan	None	None
Rattus norvegicus	Solute carrier organic anion transporter family member 1A3	Km	24800.0	nM	None
Rattus norvegicus	Solute carrier organic anion transporter family member 1A3	Km	43800.0	nM	None
Rattus norvegicus	Solute carrier organic anion transporter family member 1A4	Activity	nan	None	10.1074/jbc.273.35.22395
Rattus norvegicus	Solute carrier organic anion transporter family member 1A4	IC50	50400.0	nM	None
Rattus norvegicus	Solute carrier organic anion transporter family member 1A4	Km	5870.0	nM	10.1074/jbc.273.35.22395
Rattus norvegicus	Solute carrier organic anion transporter family member 1A5	Km	7330.0	nM	10.1074/jbc.273.35.22395
Rattus norvegicus	Solute carrier organic anion transporter family member 1B2	Activity	nan	None	10.1016/s0014-5793(00)01596-9
Rattus norvegicus	Solute carrier organic anion transporter family member 4A1	Activity	nan	None	10.1210/endo.142.5.8115
Rattus norvegicus	Solute carrier organic anion transporter family member 4C1	Km	1900.0	nM	10.1073/pnas.0304987101
Rattus norvegicus	Thyroid hormone receptor beta-1	IC50	1.8	nM	10.1021/jm00004a015
Rattus norvegicus	Thyroid hormone receptor beta-1	IC50	4.4	nM	10.1021/jm00004a015
Rattus norvegicus	Thyroid hormone receptor beta-1	IC50	100.0	nM	10.1021/jm00004a015
Rattus norvegicus	Thyroid hormone receptor beta-1	IC50	500.0	nM	10.1021/jm00004a015
Rattus norvegicus	Thyroid hormone receptor beta-1	Relative ED50	100.0	None	10.1021/jm00396a008
Rattus norvegicus	Thyroid hormone receptor beta-1	Relative IC50	100.0	None	10.1021/jm00396a008
Rattus norvegicus	Transthyretin	Ratio	0.05	None	10.1021/jm00384a014
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
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	2.74	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.01634	None	10.1101/2020.04.21.054387
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	-0.2	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition index	-0.04221	None	10.1101/2020.04.03.023846
None	ADMET	Activity	1.4	mg/dl	10.1016/j.ejmech.2019.112006
None	ADMET	Activity	44.0	%	10.1021/acs.jmedchem.2c01669
None	ADMET	Activity	53.0	U/L	10.1016/j.ejmech.2019.112006
None	ADMET	Activity	61.9	%	10.1021/acs.jmedchem.2c01669
None	ADMET	Activity	65.2	mg/dl	10.1016/j.ejmech.2019.112006
None	ADMET	Activity	90.2	mg/dl	10.1016/j.ejmech.2019.112006
None	ADMET	Activity	139.0	mg/dl	10.1016/j.ejmech.2019.112006
None	ADMET	Activity	159.0	U/L	10.1016/j.ejmech.2019.112006
None	ADMET	Activity	nan	None	10.1016/j.ejmech.2019.112006
None	ADMET	Activity	nan	None	10.1021/acs.jmedchem.2c01669
None	ADMET	Drug uptake	1.3	nM	10.1021/acs.jmedchem.9b02150
None	ADMET	FC	0.5	None	10.1021/acs.jmedchem.2c01669
None	ADMET	FC	2.5	None	10.1021/acs.jmedchem.2c01669
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1021/tx1000865
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1021/tx900326k
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1124/dmd.110.035113
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	0.0	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	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatomegaly	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_jaundice	0.0	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	LTKB_BD DILI severity score	nan	None	10.1016/j.drudis.2011.05.007
None	No relevant target	pKa	8.51	None	10.1021/jm00396a008
None	Unchecked	Ac50	0.5623	uM	None
None	Unchecked	Ac50	4.467	uM	None
None	Unchecked	AC50	562.3	nM	None
None	Unchecked	AC50	4470.0	nM	None
None	Unchecked	Activity	100.0	%	10.1021/jm00179a024
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2011.03.053
None	Unchecked	Activity	nan	None	10.1021/acs.jmedchem.2c00144
None	Unchecked	EC50	0.5	nM	10.1021/acs.jmedchem.9b02150
None	Unchecked	EC50	26.0	nM	10.1016/j.bmcl.2020.127465
None	Unchecked	EC50	30.0	nM	10.1016/j.bmcl.2020.127465
None	Unchecked	IC50	0.034	nM	10.1016/j.bmcl.2013.01.025
None	Unchecked	IC50	0.38	nM	10.1016/j.bmc.2010.07.034
None	Unchecked	IC50	1.1	nM	10.1016/s0960-894x(00)00309-7
None	Unchecked	IC50	nan	None	None
None	Unchecked	Inhibition	6.0	%	10.1016/j.bmcl.2013.01.025
None	Unchecked	Inhibition	nan	%	10.1021/acs.jmedchem.2c00144
None	Unchecked	Ki	0.018	nM	10.1016/j.bmcl.2013.01.025
None	Unchecked	Ki	1.56	nM	10.1021/jm00081a017
None	Unchecked	Ki	nan	None	None
None	Unchecked	log(%)	2.0	None	10.1021/jm00217a001
None	Unchecked	Potency	1258.9	nM	None
None	Unchecked	Potency	1636.0	nM	None
None	Unchecked	Potency	2511.9	nM	None
None	Unchecked	Potency	8199.5	nM	None
None	Unchecked	Ratio	1.0	None	10.1021/acs.jmedchem.2c01669
None	Unchecked	Ratio EC50	0.8	None	10.1021/acs.jmedchem.2c00144
None	Unchecked	Ratio EC50	1.0	None	10.1016/j.bmc.2013.11.001
None	Unchecked	Ratio EC50	1.0	None	10.1016/j.bmcl.2020.127465
None	Unchecked	Ratio EC50	1.0	None	10.1021/jm4019299
None	Unchecked	Ratio IC50	0.54	None	10.1016/j.bmcl.2007.05.049
None	Unchecked	Ratio IC50	1.1	None	10.1016/j.bmc.2013.11.001
None	Unchecked	Ratio Ki	0.4	None	10.1073/pnas.0702759104
None	Unchecked	Ratio Ki	1.0	None	10.1016/j.bmc.2012.03.056
None	Unchecked	Ratio Ki	1.0	None	10.1016/j.bmc.2012.12.002
None	Unchecked	RBA	100.0	%	10.1021/jm00217a001

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000716	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C()=O>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	RXN-10474
AKRT002132	CC(=O)C(=O)O.N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1	enzymemap_41876
AKRT013604	C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	enzymemap_41876
AKRT014683	C[SAH].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>COc1ccc(Oc2c(I)cc(C[C@H](N)C(=O)O)cc2I)cc1I	enzymemap_26689
AKRT019164	N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	THYROID-HORMONE-AMINOTRANSFERASE-RXN
AKRT019848	N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O.N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	R03953
AKRT019859	N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	THYROXINE-DEIODINASE-RXN
AKRT019862	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O	THYROID-HORMONE-AMINOTRANSFERASE-RXN
AKRT019863	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1	THYROID-HORMONE-AMINOTRANSFERASE-RXN
AKRT019864	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	RXN-10609
AKRT019865	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>N[C@@H](Cc1cc(I)c(Oc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(I)c2)c(I)c1)C(=O)O	RXN-10607
AKRT019866	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>N[C@H](Cc1cc(I)c(Oc2ccc(OC3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3O)c(I)c2)c(I)c1)C(=O)O	MNXR103484
AKRT019867	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>C[C@H](N)C(=O)O	enzymemap_41876
AKRT019868	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>NC(Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	MNXR133880
AKRT019869	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O	RXN-12034
AKRT019870	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>N[C@@H](Cc1cc(I)c(Oc2ccc(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O	RXN-10615
AKRT019871	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	RXN-10605
AKRT019872	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O>>O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1	enzymemap_22211
AKRT022602	O=C(O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1>>N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	enzymemap_41874