SOZ

5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Created:	2022-12-19
Last modified:	2022-12-28

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1 entries where SOZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	22

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Chemical Component Summary
Name	5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Systematic Name (OpenEye OEToolkits)	5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Formula	C₁₉ H₁₃ F₅ N₆
Molecular Weight	420.339
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1nc2ccc(F)cc2n1c3nc(N)c(F)c(Nc4ccc(cc4)C(F)(F)F)n3
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2ccc(cc2n1c3nc(c(c(n3)Nc4ccc(cc4)C(F)(F)F)F)N)F
Canonical SMILES	CACTVS	3.385	Cc1nc2ccc(F)cc2n1c3nc(N)c(F)c(Nc4ccc(cc4)C(F)(F)F)n3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2ccc(cc2n1c3nc(c(c(n3)Nc4ccc(cc4)C(F)(F)F)F)N)F
InChI	InChI	1.06	InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)
InChIKey	InChI	1.06	TWLWOOPCEXYVBE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB18080
Name	Unesbulin
Groups	investigational
Synonyms	5-fluoro-2-(6-fluoro-2-methyl-1H-benzo[d]imidazole-1-yl)-N4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine 5-fluoro-2-(6-fluoro-2-methyl-1h-benzo(d)imidazole-1-yl)-n4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine 5-fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)-4,6-pyrimidinediamine Unesbulin 4,6-pyrimidinediamine, 5-fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)- Polycomb ring finger oncogene inhibitor ptc596 Bmi1 inhibitor ptc596
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	1610964-64-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Polycomb complex protein BMI-1	MHRTTRIKITELNPHLMCVLCGGYFIDATTIIECLHSFCKTCIVRYLETS...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682