BD4

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

Created:	2005-01-07
Last modified:	2011-06-04

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1 entries where BD4 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	15

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Chemical Component Summary
Name	6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Systematic Name (OpenEye OEToolkits)	6-(3-aminopropyl)-4,9-dimethyl-pyrrolo[3,4-c]carbazole-1,3-dione
Formula	C₁₉ H₁₉ N₃ O₂
Molecular Weight	321.373
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C4c3c2c1cc(ccc1n(c2cc(c3C(=O)N4)C)CCCN)C
SMILES	CACTVS	3.341	Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
Canonical SMILES	CACTVS	3.341	Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
InChI	InChI	1.03	InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)
InChIKey	InChI	1.03	PKPNSCZPIWCHMW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07444
Name	6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Groups	experimental
Synonyms	6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Death-associated protein kinase 1	MTVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTK...	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