Molecule

Streptonigrin

AlkaPlorer ID: AK003717

Synonym: Rufocromomycin, Bruneomycin, Nigrin, Valacidin, NSC 45383, RP 5278, Antibiotic RP 5278

IUPAC Name: 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid

Structure

SMILES: COC1=C(N)C(=O)C2=NC(C3=C(N)C(C4=CC=C(OC)C(OC)=C4O)=C(C)C(C(=O)O)=N3)=CC=C2C1=O

InChI: InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)

InChIKey: PVYJZLYGTZKPJE-UHFFFAOYSA-N

Reference

Biological properties of streptonigrin derivatives. I. Antimicrobial and cytocidal activities.

PubChem CID: 135789991

CAS: 3930-19-6

LOTUS: LTS0003499

SuperNatural Ⅲ: SN0296566

NPASS: NPC215837

COCONUT: CNP0176065

{

NPAtlas: NPA002378

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
None	Micromonospora	Micromonosporaceae	Micromonosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 506.4710000000003

TPSA？: 197.18

MolLogP？: 2.31792

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	MIC	10000.0	nM	10.6019/CHEMBL4296183
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	3548.1	nM	None
Bacillus subtilis	Bacillus subtilis	MIC	1.37	nM	10.1021/jm00110a018
Bacillus subtilis	Bacillus subtilis	Relative potency	1.0	None	10.1021/jm00110a018
Bacillus subtilis	Bacillus subtilis	Slope	5.51	None	10.1021/jm00110a018
Bos taurus	Monoamine oxidase A	Activity	nan	None	10.1021/jm800656v
Candida albicans	Candida albicans	MIC	12.5	ug.mL-1	10.1021/jm00393a040
Candida albicans	Candida albicans	MIC	156.3	nM	10.6019/CHEMBL4296183
Cryptococcus neoformans	Cryptococcus neoformans	MIC	1250.0	nM	10.6019/CHEMBL4296183
Electrophorus electricus	Acetylcholinesterase	Inhibition	-2.66	%	10.1016/j.bmc.2012.09.040
Equus caballus	Cholinesterase	Inhibition	-5.44	%	10.1016/j.bmc.2012.09.040
Escherichia coli	Escherichia coli	MIC	6.25	ug.mL-1	10.1021/jm00393a040
Escherichia coli	Escherichia coli	MIC	5000.0	nM	10.6019/CHEMBL4296183
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Potency	315.5	nM	None
Homo sapiens	786-0	GI50	2.844	nM	None
Homo sapiens	786-0	GI50	10.0	nM	None
Homo sapiens	A498	GI50	8.11	nM	None
Homo sapiens	A498	GI50	12.59	nM	None
Homo sapiens	A549	GI50	5.047	nM	None
Homo sapiens	A549	GI50	10.0	nM	None
Homo sapiens	A549	IC50	0.33	ug.mL-1	10.1007/s00044-004-0032-8
Homo sapiens	A549	IC50	0.33	ug.mL-1	10.1016/s0960-894x(99)00152-3
Homo sapiens	ACHN	GI50	1.69	nM	None
Homo sapiens	ACHN	GI50	10.0	nM	None
Homo sapiens	Anandamide amidohydrolase	Inhibition	16.95	%	10.1016/j.bmcl.2009.09.086
Homo sapiens	Ataxin-2	Potency	2238.7	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	39.7	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	56.1	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	819.9	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	1118.7	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	2232.1	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	2504.4	nM	None
Homo sapiens	Bloom syndrome protein	Potency	3548.1	nM	None
Homo sapiens	BT-549	GI50	5.26	nM	None
Homo sapiens	BT-549	GI50	10.0	nM	None
Homo sapiens	CAKI-1	GI50	1.38	nM	None
Homo sapiens	CAKI-1	GI50	10.0	nM	None
Homo sapiens	CAKI-1	IC50	0.4	nM	10.1016/j.bmcl.2009.03.145
Homo sapiens	CCRF-CEM	GI50	6.012	nM	None
Homo sapiens	CCRF-CEM	GI50	10.0	nM	None
Homo sapiens	CCRF-CEM	IC50	0.00017	ug.mL-1	10.1021/jm00393a040
Homo sapiens	COLO 205	GI50	2.393	nM	None
Homo sapiens	COLO 205	GI50	12.25	nM	None
Homo sapiens	DLD-1	GI50	13.09	nM	None
Homo sapiens	DMS-114	GI50	10.0	nM	None
Homo sapiens	DMS-273	GI50	10.0	nM	None
Homo sapiens	DNA polymerase beta	Potency	10000.0	nM	None
Homo sapiens	DNA polymerase eta	Potency	3548.1	nM	None
Homo sapiens	DNA polymerase iota	Potency	891.3	nM	None
Homo sapiens	DNA polymerase kappa	Potency	50118.7	nM	None
Homo sapiens	DNA repair and recombination protein RAD54-like	EC50	16500.0	nM	10.1016/j.bmcl.2014.04.088
Homo sapiens	DU-145	GI50	4.624	nM	None
Homo sapiens	DU-145	GI50	10.0	nM	None
Homo sapiens	EKVX	GI50	9.376	nM	None
Homo sapiens	EKVX	GI50	21.48	nM	None
Homo sapiens	Flap endonuclease 1	Potency	3981.1	nM	None
Homo sapiens	Galactokinase	Inhibition	nan	%	None
Homo sapiens	Galactokinase	Potency	1332.2	nM	None
Homo sapiens	Geminin	Potency	5.8	nM	None
Homo sapiens	Geminin	Potency	1122.0	nM	None
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	28183.8	nM	None
Homo sapiens	HCC 2998	GI50	5.649	nM	None
Homo sapiens	HCC 2998	GI50	10.89	nM	None
Homo sapiens	HCT-116	GI50	6.194	nM	None
Homo sapiens	HCT-116	GI50	10.0	nM	None
Homo sapiens	HCT-15	GI50	1.442	nM	None
Homo sapiens	HCT-15	GI50	10.09	nM	None
Homo sapiens	HCT-15	IC50	0.02	ug.mL-1	10.1007/s00044-004-0032-8
Homo sapiens	HCT-15	IC50	0.02	ug.mL-1	10.1016/s0960-894x(99)00152-3
Homo sapiens	HEK293	CC50	115.0	nM	10.6019/CHEMBL4296183
Homo sapiens	HEK293	Potency	82.0	nM	None
Homo sapiens	HepG2	Potency	89.1	nM	None
Homo sapiens	Histone acetyltransferase GCN5	Potency	5011.9	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	1258.9	nM	None
Homo sapiens	Histone-lysine N-methyltransferase MLL	Potency	3548.1	nM	None
Homo sapiens	HL-60	GI50	3.266	nM	None
Homo sapiens	HL-60	GI50	10.0	nM	None
Homo sapiens	HOP-18	GI50	10.0	nM	None
Homo sapiens	HOP-62	GI50	1.172	nM	None
Homo sapiens	HOP-62	GI50	10.0	nM	None
Homo sapiens	HOP-92	GI50	6.668	nM	None
Homo sapiens	HOP-92	GI50	28.38	nM	None
Homo sapiens	Hs-578T	GI50	10.0	nM	None
Homo sapiens	HT-29	GI50	7.396	nM	None
Homo sapiens	HT-29	GI50	15.1	nM	None
Homo sapiens	IGROV-1	GI50	2.371	nM	None
Homo sapiens	IGROV-1	GI50	18.24	nM	None
Homo sapiens	Importin subunit beta-1/Snurportin-1	Potency	35481.3	nM	None
Homo sapiens	Indoleamine 2,3-dioxygenase	Inhibition	92.14	%	10.1016/j.ejmech.2016.12.029
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	9.2	nM	None
Homo sapiens	Janus Kinase (JAK)	Inhibition	25.0	%	10.1038/nchembio.2007.59
Homo sapiens	Janus Kinase (JAK)	Inhibition	65.0	%	10.1038/nchembio.2007.59
Homo sapiens	K562	GI50	10.0	nM	None
Homo sapiens	K562	GI50	23.71	nM	None
Homo sapiens	KARPAS-299	IC50	0.4	nM	10.1016/j.bmcl.2009.03.145
Homo sapiens	KM12	GI50	1.4	nM	None
Homo sapiens	KM12	GI50	10.09	nM	None
Homo sapiens	KM-20L2	GI50	10.0	nM	None
Homo sapiens	KM-20L2	GI50	19.01	nM	None
Homo sapiens	Lethal(3)malignant brain tumor-like protein 1	Potency	19952.6	nM	None
Homo sapiens	LOX IMVI	GI50	5.808	nM	None
Homo sapiens	LOX IMVI	GI50	10.0	nM	None
Homo sapiens	LXFL 529	GI50	10.0	nM	None
Homo sapiens	Lysine-specific demethylase 4A	Potency	89125.1	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	14125.4	nM	None
Homo sapiens	M14	GI50	3.724	nM	None
Homo sapiens	M14	GI50	10.0	nM	None
Homo sapiens	M19-MEL	GI50	10.0	nM	None
Homo sapiens	Malme-3M	GI50	4.467	nM	None
Homo sapiens	Malme-3M	GI50	10.0	nM	None
Homo sapiens	Mannose-6-phosphate isomerase	IC50	50000.0	nM	None
Homo sapiens	MAP kinase ERK2	Potency	1000.0	nM	None
Homo sapiens	MAP kinase p38	Inhibition	25.0	%	10.1038/nchembio.2007.59
Homo sapiens	MCF7	GI50	0.2831	nM	None
Homo sapiens	MCF7	GI50	10.0	nM	None
Homo sapiens	MDA-MB-231	GI50	9.12	nM	None
Homo sapiens	MDA-MB-231	GI50	1124.6	nM	None
Homo sapiens	MDA-MB-435	GI50	8.59	nM	None
Homo sapiens	MDA-MB-435	GI50	10.0	nM	None
Homo sapiens	MDA-N	GI50	7.925	nM	None
Homo sapiens	MDA-N	GI50	10.0	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	12589.3	nM	None
Homo sapiens	microRNA 21	Potency	2930.9	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	4466.8	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	12589.3	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	15848.9	nM	None
Homo sapiens	MOLT-4	GI50	4.819	nM	None
Homo sapiens	MOLT-4	GI50	10.0	nM	None
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	281.8	nM	None
Homo sapiens	Muscleblind-like protein 1	Potency	17782.8	nM	None
Homo sapiens	NCI/ADR-RES	GI50	8.933	nM	None
Homo sapiens	NCI/ADR-RES	GI50	10.0	nM	None
Homo sapiens	NCI-H226	GI50	5.728	nM	None
Homo sapiens	NCI-H226	GI50	10.0	nM	None
Homo sapiens	NCI-H23	GI50	1.466	nM	None
Homo sapiens	NCI-H23	GI50	10.0	nM	None
Homo sapiens	NCI-H322M	GI50	13.58	nM	None
Homo sapiens	NCI-H322M	GI50	55.46	nM	None
Homo sapiens	NCI-H460	GI50	0.2904	nM	None
Homo sapiens	NCI-H460	GI50	10.0	nM	None
Homo sapiens	NCI-H522	GI50	0.526	nM	None
Homo sapiens	NCI-H522	GI50	10.0	nM	None
Homo sapiens	Niemann-Pick C1 protein	Potency	562.3	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	73.1	nM	None
Homo sapiens	OVCAR-3	GI50	12.71	nM	None
Homo sapiens	OVCAR-3	GI50	14.19	nM	None
Homo sapiens	OVCAR-4	GI50	3.99	nM	None
Homo sapiens	OVCAR-4	GI50	19.59	nM	None
Homo sapiens	OVCAR-5	GI50	3.319	nM	None
Homo sapiens	OVCAR-5	GI50	14.32	nM	None
Homo sapiens	OVCAR-8	GI50	3.733	nM	None
Homo sapiens	OVCAR-8	GI50	10.0	nM	None
Homo sapiens	Parathyroid hormone receptor	Potency	766.7	nM	None
Homo sapiens	PC-3	GI50	7.096	nM	None
Homo sapiens	PC-3	GI50	10.0	nM	None
Homo sapiens	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Potency	2818.4	nM	None
Homo sapiens	Phosphodiesterase 4	IC50	1870.0	nM	10.1016/j.ejmech.2021.113840
Homo sapiens	Prelamin-A/C	Potency	125.9	nM	None
Homo sapiens	Protein-arginine deiminase type-1	IC50	48300.0	nM	10.1016/j.bmc.2013.12.064
Homo sapiens	Protein-arginine deiminase type-2	Activity	nan	None	10.1016/j.bmc.2013.12.064
Homo sapiens	Protein-arginine deiminase type-2	IC50	26100.0	nM	10.1016/j.bmc.2013.12.064
Homo sapiens	Protein-arginine deiminase type-2	Inhibition	nan	%	10.1016/j.bmc.2013.12.064
Homo sapiens	Protein-arginine deiminase type-3	IC50	430.0	nM	10.1016/j.bmc.2013.12.064
Homo sapiens	Protein-arginine deiminase type-4	Activity	nan	None	10.1016/j.bmc.2013.12.064
Homo sapiens	Protein-arginine deiminase type-4	IC50	2500.0	nM	10.1016/j.bmc.2013.12.064
Homo sapiens	Protein-arginine deiminase type-4	IC50	2500.0	nM	None
Homo sapiens	Protein-arginine deiminase type-4	Inhibition	nan	%	10.1016/j.bmc.2013.12.064
Homo sapiens	Ras-related protein Rab-9A	Potency	446.7	nM	None
Homo sapiens	RPMI-8226	GI50	2.148	nM	None
Homo sapiens	RPMI-8226	GI50	10.0	nM	None
Homo sapiens	RXF 393	GI50	1.294	nM	None
Homo sapiens	RXF 393	GI50	11.25	nM	None
Homo sapiens	Sentrin-specific protease 1	IC50	520.0	nM	10.1016/j.ejmech.2022.114227
Homo sapiens	Sentrin-specific protease 1	IC50	520.0	nM	10.1021/acs.jnatprod.1c01166
Homo sapiens	Sentrin-specific protease 2	IC50	6900.0	nM	10.1016/j.ejmech.2022.114227
Homo sapiens	Sentrin-specific protease 6	IC50	5200.0	nM	10.1016/j.ejmech.2022.114227
Homo sapiens	Serine-protein kinase ATM	Potency	707.9	nM	None
Homo sapiens	Serine-protein kinase ATM	Potency	822.7	nM	None
Homo sapiens	Serine-protein kinase ATM	Potency	16416.0	nM	None
Homo sapiens	SF-268	GI50	1.862	nM	None
Homo sapiens	SF-268	GI50	10.0	nM	None
Homo sapiens	SF-295	GI50	2.938	nM	None
Homo sapiens	SF-295	GI50	10.0	nM	None
Homo sapiens	SF-539	GI50	1.585	nM	None
Homo sapiens	SF-539	GI50	10.0	nM	None
Homo sapiens	SH-SY5Y	Activity	nan	None	10.1021/np0104572
Homo sapiens	SH-SY5Y	IC50	50.0	nM	10.1021/np0104572
Homo sapiens	SH-SY5Y	IC50	4600.0	nM	10.1021/np0104572
Homo sapiens	SH-SY5Y	Ratio IC50	92.0	None	10.1021/np0104572
Homo sapiens	SK-MEL-2	GI50	5.834	nM	None
Homo sapiens	SK-MEL-2	GI50	12.11	nM	None
Homo sapiens	SK-MEL-2	IC50	0.02	ug.mL-1	10.1007/s00044-004-0032-8
Homo sapiens	SK-MEL-2	IC50	0.02	ug.mL-1	10.1016/s0960-894x(99)00152-3
Homo sapiens	SK-MEL-28	GI50	1.77	nM	None
Homo sapiens	SK-MEL-28	GI50	10.42	nM	None
Homo sapiens	SK-MEL-5	GI50	5.808	nM	None
Homo sapiens	SK-MEL-5	GI50	10.0	nM	None
Homo sapiens	SK-OV-3	GI50	8.26	nM	None
Homo sapiens	SK-OV-3	GI50	10.0	nM	None
Homo sapiens	SK-OV-3	IC50	0.28	ug.mL-1	10.1007/s00044-004-0032-8
Homo sapiens	SK-OV-3	IC50	0.28	ug.mL-1	10.1016/s0960-894x(99)00152-3
Homo sapiens	SN12C	GI50	7.852	nM	None
Homo sapiens	SN12C	GI50	10.0	nM	None
Homo sapiens	SN12K1	GI50	10.0	nM	None
Homo sapiens	SNB-19	GI50	3.404	nM	None
Homo sapiens	SNB-19	GI50	10.0	nM	None
Homo sapiens	SNB-75	GI50	1.679	nM	None
Homo sapiens	SNB-75	GI50	12.47	nM	None
Homo sapiens	SNB-78	GI50	10.0	nM	None
Homo sapiens	SNB-78	GI50	19.45	nM	None
Homo sapiens	SR	GI50	3.373	nM	None
Homo sapiens	SR	GI50	10.0	nM	None
Homo sapiens	Survival motor neuron protein	Potency	316.2	nM	None
Homo sapiens	SW-620	GI50	6.026	nM	None
Homo sapiens	SW-620	GI50	10.02	nM	None
Homo sapiens	T47D	GI50	2.965	nM	None
Homo sapiens	T47D	GI50	10.0	nM	None
Homo sapiens	TAR DNA-binding protein 43	Potency	7079.5	nM	None
Homo sapiens	TK-10	GI50	4.027	nM	None
Homo sapiens	TK-10	GI50	24.27	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	41.1	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	103.2	nM	None
Homo sapiens	U-251	GI50	0.4027	nM	None
Homo sapiens	U-251	GI50	10.0	nM	None
Homo sapiens	UACC-257	GI50	7.87	nM	None
Homo sapiens	UACC-257	GI50	10.74	nM	None
Homo sapiens	UACC-62	GI50	1.026	nM	None
Homo sapiens	UACC-62	GI50	10.0	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	11220.2	nM	None
Homo sapiens	UO-31	GI50	0.1	nM	None
Homo sapiens	UO-31	GI50	10.0	nM	None
Homo sapiens	Vitamin D receptor	Potency	14125.4	nM	None
Homo sapiens	Werner syndrome ATP-dependent helicase	Potency	22387.2	nM	None
Homo sapiens	XF498	GI50	10.0	nM	None
Homo sapiens	XF498	IC50	0.31	ug.mL-1	10.1007/s00044-004-0032-8
Homo sapiens	XF498	IC50	0.31	ug.mL-1	10.1016/s0960-894x(99)00152-3
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Human immunodeficiency virus type 1 Tat protein	IC50	42129.0	nM	None
Influenza A virus	Nonstructural protein 1	Potency	1000.0	nM	None
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	0.1	ug.mL-1	10.1021/jm00393a040
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	10000.0	nM	10.6019/CHEMBL4296183
Lepidium sativum	Lepidium sativum	IC50	12650.0	nM	10.1021/jm00110a018
Lepidium sativum	Lepidium sativum	Relative potency	1.0	None	10.1021/jm00110a018
Mus musculus	B16	IC50	0.48	ug.mL-1	10.1021/jm00393a040
Mus musculus	L1210	IC50	0.61	ug.mL-1	10.1021/jm00393a040
Mus musculus	Mus musculus	Inhibition	nan	%	10.1038/nchembio.2007.59
Mus musculus	Nuclear receptor ROR-gamma	Potency	14125.4	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	22387.2	nM	None
Mus musculus	P388	GI50	35.16	nM	None
Mus musculus	P388	IC50	0.045	ug.mL-1	10.1021/jm00393a040
Mus musculus	P388	ID50	0.05	ug ml-1	10.1021/jm00127a004
Mus musculus	P388/ADR	GI50	28.71	nM	None
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC	1.56	ug.mL-1	10.1021/jm00393a040
Plasmodium falciparum	Plasmodium falciparum	Potency	18.5	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	52.2	nM	None
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	6.25	ug.mL-1	10.1021/jm00393a040
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	10000.0	nM	10.6019/CHEMBL4296183
Rattus norvegicus	Inositol monophosphatase 1	Potency	14125.4	nM	None
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	0.009	ug	10.1021/np9701438
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	0.012	ug	10.1021/np9701438
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	0.1	ug	10.1021/np9701438
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	0.4	ug ml-1	10.1021/np010123c
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	0.4	ug ml-1	10.1021/np50103a009
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	2.4	ug ml-1	10.1021/np50103a009
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	nan	None	10.1021/np50103a009
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC12	0.4	ug ml-1	10.1021/np010404k
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC12	0.4	ug ml-1	10.1021/np50089a014
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC12	0.4	ug ml-1	10.1021/np50125a006
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC12	1.0	ug ml-1	10.1021/np010404k
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC12	2.4	ug ml-1	10.1021/np50089a014
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC12	2.4	ug ml-1	10.1021/np50125a006
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC12	4.0	ug ml-1	10.1021/np0303963
Salmonella enterica subsp. enterica serovar Gallinarum	Salmonella enterica subsp. enterica serovar Gallinarum	MIC	1.56	ug.mL-1	10.1021/jm00393a040
Staphylococcus aureus	Staphylococcus aureus	MIC	0.1	ug.mL-1	10.1021/jm00393a040
Staphylococcus aureus	Staphylococcus aureus	MIC	78.1	nM	10.6019/CHEMBL4296183
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	19011.5	nM	None
Trypanosoma brucei brucei	Phosphoglycerate kinase, glycosomal	Potency	25118.9	nM	None
None	ADMET	NADH oxidation	47.4	uM min-1mg-1	10.1016/s0960-894x(99)00369-8
None	ADMET	pKa	4.7	None	10.1021/jm00127a004
None	ADMET	pKa	6.5	None	10.1021/jm00127a004
None	ADMET	pKa	6.6	None	10.1021/jm00127a004
None	Epidermoid carcinoma cell line	IC50	0.0025	ug.mL-1	10.1021/jm00393a040
None	NON-PROTEIN TARGET	CC50	2960.0	nM	None
None	NON-PROTEIN TARGET	IC50	0.8	nM	10.1016/j.bmcl.2009.03.145
None	Unchecked	IC50	9.4	nM	None
None	Unchecked	IC50	10820.0	nM	None
None	Unchecked	IC50	20000.0	nM	10.1038/nchembio.2007.59
None	Unchecked	IC50	80000.0	nM	10.1016/j.bmcl.2008.11.054
None	Unchecked	Inhibition	50.0	%	10.1038/nchembio.2007.59
None	Unchecked	Inhibition	nan	%	10.1038/nchembio.2007.59
None	Unchecked	Inhibition	nan	%	None
None	Unchecked	Occ50	20.0	uM	10.1038/nchembio.2007.59
None	Unchecked	Potency	8.2	nM	None
None	Unchecked	Potency	12.5	nM	None
None	Unchecked	Potency	58.0	nM	None
None	Unchecked	Potency	316.2	nM	None
None	Unchecked	Potency	631.0	nM	None
None	Unchecked	Potency	707.9	nM	None
None	Unchecked	Potency	943.1	nM	None
None	Unchecked	Potency	1258.9	nM	None
None	Unchecked	Potency	2592.9	nM	None
None	Unchecked	Potency	2818.4	nM	None
None	Unchecked	Potency	3981.1	nM	None
None	Unchecked	Potency	29092.9	nM	None
None	Unchecked	Potency	39810.7	nM	None

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT011170	COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O>>COc1ccc(-c2c(C)c(C(=O)O)nc(-c3ccc4c(O)c(OC)c(N)c(O)c4n3)c2N)c(O)c1OC	enzymemap_23996