Drug Information

Drug General Information
Drug ID
D09KUE
Former ID
DNC013225
Drug Name
NSC-88915
Drug Type
Small molecular drug
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Investigative [529597]
Formula
C27H33BrO5S
Canonical SMILES
CC12CCC3C(C1CCC2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC<br />(=O)CCC35C
InChI
1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
InChIKey
ZQNARVKYKGBJES-YNHSGCSHSA-N
PubChem Compound ID
259210
Target and Pathway
Target(s) Phosphoribosylaminoimidazolecarboxamide formyltransferase Target Info Inhibitor [527350]
Rhodopsin Target Info Inhibitor [529643]
Adenylate cyclase Target Info Inhibitor [529597]
KEGG Pathway Phototransduction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-rod outer segment phototransduction
Pathway Interaction Database Visual signal transduction: Rods
Reactome The canonical retinoid cycle in rods (twilight vision)
Inactivation, recovery and regulation of the phototransduction cascade
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Visual phototransduction
Regulation of Microtubule Cytoskeleton
Integrated Breast Cancer Pathway
Integrin-mediated Cell Adhesion
References
Ref 529597J Med Chem. 2008 Aug 14;51(15):4456-64. Epub 2008 Jul 17.Structure-based development of novel adenylyl cyclase inhibitors.
Ref 527350J Med Chem. 2004 Dec 30;47(27):6681-90.Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors.
Ref 529597J Med Chem. 2008 Aug 14;51(15):4456-64. Epub 2008 Jul 17.Structure-based development of novel adenylyl cyclase inhibitors.
Ref 529643J Med Chem. 2008 Sep 11;51(17):5297-303. Epub 2008 Aug 16.Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening.