Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0N3CC
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| Former ID |
DNC008569
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| Drug Name |
(S-(2-oxo)pentadecyl-CoA)
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| Synonyms |
CHEMBL448516; Coenzyme A, S-(2-oxopentadecyl)-; (S-(2-oxo)pentadecyl-CoA); 121124-66-1; NSC618486; AC1L9QGK; S-(2-Oxopentadecyl) CoA; S-2-Ketopentadecyl Coenzyme A, Sodium Salt; BDBM50270015; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopentadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C36H64N7O17P3S
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| Canonical SMILES |
CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
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| InChI |
1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t26-,29-,30-,31?,35-/m1/s1
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| InChIKey |
JKWHUJMJVNMKEF-DJEJIMQCSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Candida Peptide N-myristoyltransferase (Candi NMT1) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Crystal structures of Saccharomyces cerevisiae N-myristoyltransferase with bound myristoyl-CoA and inhibitors reveal the functional roles of the N-... J Biol Chem. 2007 Jul 27;282(30):22185-94. | |||
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