Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0A0RR
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| Former ID |
DNC014777
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| Drug Name |
ADENOPHOSTIN A
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| Synonyms |
adenophostin a; 149091-92-9; Adenophostin; CHEMBL204385; AC1L3X4M; CHEBI:34524; 2'-Adenylic acid, 3'-O-(3,4-di-O-phosphono-alpha-D-glucopyranosyl)-; C16H26N5O18P3; GTPL4124; DTXSID10164167; BDBM50184325; LS-173343; C13727; 2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyphosphate-(2R,3R,4R,5R)-tetrahydro-3-furanyloxy]-6-hydroxymethyl-4,5-dioxyphosphate-(2R,3R,4S,5R,6R)-tetrahydro-2H-3-pyranol
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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 |
C16H26N5O18P3
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| Canonical SMILES |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N
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| InChI |
1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
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| InChIKey |
RENVITLQVBEFDT-MZQFDOALSA-N
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| CAS Number |
CAS 149091-92-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:34524
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Inositol 1,4,5-trisphosphate receptor (ITPR) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4124). | |||
| REF 2 | 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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