Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09KUE
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| Former ID |
DNC013225
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| Drug Name |
NSC-88915
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| Synonyms |
3,20-dioxopregn-4-en-21-yl 4-bromobenzenesulfonate; NSC-88915; 21170-34-3; NSC88915; CHEMBL387152; AC1L60NG; AC1Q267H; SCHEMBL13856957; CTK1A5243; ZINC4901407; BDBM50158383; AKOS028112969; NCI60_041972; 170D343; 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate); Pregn-4-ene-3,20-dione, 21-[[(4-bromophenyl)sulfonyl]oxy]-; 2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-bromobenzenesulfonate
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C27H33BrO5S
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| Canonical SMILES |
CC12CCC3C(C1CCC2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC(=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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| CAS Number |
CAS 21170-34-3
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenylate cyclase (ADCY) | Target Info | Inhibitor | [1] |
| Phosphoribosylaminoimidazolecarboxamide formyltransferase (ATIC) | Target Info | Inhibitor | [2] | |
| Rhodopsin (RHO) | Target Info | Inhibitor | [3] | |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-based development of novel adenylyl cyclase inhibitors. J Med Chem. 2008 Aug 14;51(15):4456-64. | |||
| REF 2 | Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identif... J Med Chem. 2004 Dec 30;47(27):6681-90. | |||
| REF 3 | Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening. J Med Chem. 2008 Sep 11;51(17):5297-303. | |||
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