Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G5CI
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| Former ID |
DNC014776
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| Drug Name |
5'-Deoxy-5'-phenyladenophostin A
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| Synonyms |
CHEMBL1161890; 3'-O-(3-O,4-O-Diphosphono-alpha-D-glucopyranosyl)-5'-phenyl-5'-deoxy-2'-adenylic acid
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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 |
C22H24N5O17P3-6
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| Canonical SMILES |
C1=CC=C(C=C1)CC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OP(=O)([O-])[O-])OC5C(C(C(C(O5)CO)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O
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| InChI |
1S/C22H30N5O17P3/c23-19-13-20(25-8-24-19)27(9-26-13)21-18(44-47(36,37)38)15(11(39-21)6-10-4-2-1-3-5-10)41-22-14(29)17(43-46(33,34)35)16(12(7-28)40-22)42-45(30,31)32/h1-5,8-9,11-12,14-18,21-22,28-29H,6-7H2,(H2,23,24,25)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/p-6/t11-,12-,14-,15-,16-,17-,18-,21-,22-/m1/s1
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| InChIKey |
HQEPXXWNKLEIRE-NYCICKCISA-H
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Inositol 1,4,5-trisphosphate receptor (ITPR) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis of adenophostin A analogues conjugating an aromatic group at the 5'-position as potent IP3 receptor ligands. J Med Chem. 2006 Sep 21;49(19):5750-8. | |||
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