BI8

3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE

Created:	2004-01-22
Last modified:	2011-06-04

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2 entries where BI8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	20

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Chemical Component Summary
Name	3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Systematic Name (OpenEye OEToolkits)	3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
Formula	C₂₄ H₂₂ N₄ O₂
Molecular Weight	398.457
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5
SMILES	CACTVS	3.341	Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCN)c5ccccc45
SMILES	OpenEye OEToolkits	1.5.0	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN
Canonical SMILES	CACTVS	3.341	Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCN)c5ccccc45
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN
InChI	InChI	1.03	InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
InChIKey	InChI	1.03	UQHKJRCFSLMWIA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01946
Name	Bisindolylmaleimide VIII
Groups	experimental
Synonyms	Bisindolylmaleimide VIII
Categories	Acids, Acyclic Antiplatelet agents Dicarboxylic Acids Enzyme Inhibitors Hematologic Agents Heterocyclic Compounds, Fused-Ring Imides Maleates Protein Kinase C, antagonists & inhibitors
CAS number	125313-65-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Myotonin-protein kinase	MSAEVRLRRLQQLVLDPGFLGLEPLLDLLLGVHQELGASELAQDKYVADF...	unknown
3-phosphoinositide-dependent protein kinase 1	MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPA...	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