824

9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE

Created:	2004-08-25
Last modified:	2021-03-13

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3 entries where 824 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	22

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Chemical Component Summary
Name	9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Synonyms	9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE
Systematic Name (OpenEye OEToolkits)	9-hydroxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Formula	C₂₀ H₁₂ N₂ O₃
Molecular Weight	328.321
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C5c4c2c1cc(O)ccc1nc2cc(c3ccccc3)c4C(=O)N5
SMILES	CACTVS	3.341	Oc1ccc2[nH]c3cc(c4ccccc4)c5C(=O)NC(=O)c5c3c2c1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O
Canonical SMILES	CACTVS	3.341	Oc1ccc2[nH]c3cc(c4ccccc4)c5C(=O)NC(=O)c5c3c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O
InChI	InChI	1.03	InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
InChIKey	InChI	1.03	IAUZTOZLTFSMIE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04608
Name	9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE
Groups	experimental
Synonyms	9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Wee1-like protein kinase	MSFLSRQQPPPPRRAGAACTLRQKLIFSPCSDCEEEEEEEEEEGSGHSTG...	unknown

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