Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09KUE
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| Former ID |
DNC013225
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| Drug Name |
NSC-88915
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| Drug Type |
Small molecular drug
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| Indication | Cancer [ICD9: 140-229; ICD10:C00-C96] | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C27H33BrO5S
|
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| Canonical SMILES |
CC12CCC3C(C1CCC2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC<br />(=O)CCC35C
|
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| 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
|
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| InChIKey |
ZQNARVKYKGBJES-YNHSGCSHSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Phosphoribosylaminoimidazolecarboxamide formyltransferase | Target Info | Inhibitor | [2] | |
| Rhodopsin | Target Info | Inhibitor | [3] | ||
| Adenylate cyclase | Target Info | Inhibitor | [1] | ||
| 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 1 | J Med Chem. 2008 Aug 14;51(15):4456-64. Epub 2008 Jul 17.Structure-based development of novel adenylyl cyclase inhibitors. | ||||
| REF 2 | J 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 3 | J 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. | ||||
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