Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0BK8V
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| Former ID |
DIB018525
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| Drug Name |
2',3'-ddATP
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| Synonyms |
2',3'-Dideoxyadenosine triphosphate; ddATP; UNII-9MCI2H1EJ6; 2',3'-dideoxyadenosine-5'-triphosphate; 24027-80-3; dideoxyadenosine triphosphate; CHEMBL1383; 9MCI2H1EJ6; 2',3'-DIDEOXYADENOSINE 5'-TRIPHOSPHATE; Adenosine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-; 2',3'-Dideoxy-ATP; ddA-TP; ATP,2',3'-dideoxy; SCHEMBL79815; GTPL1709; AC1L230G; DTXSID90178767; MolPort-044-561-436; ZINC12501706; BDBM50164644; AKOS030589611; 2'',3''-dideoxyadenosine triphosphate; DB02189; 2',3'-Dideoxyadenosine-5-triphosphate; 2',3'-Dideoxyadenosine Triphosphate (Ddatp)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C10H16N5O11P3
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| Canonical SMILES |
C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C(N=CN=C32)N
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| InChI |
1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
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| InChIKey |
OAKPWEUQDVLTCN-NKWVEPMBSA-N
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| CAS Number |
CAS 24027-80-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
598949, 824264, 7886885, 8189618, 15332184, 26711134, 26711140, 26711143, 26713503, 43122122, 46506011, 57315424, 75089223, 85285746, 85285750, 92728881, 92728886, 96021776, 96021782, 103059116, 103465077, 104050360, 104333421, 124360959, 124360962, 125317023, 125317026, 128780718, 134350093, 135021827, 135651389, 144220391, 144223538, 152138017, 160965400, 164794748, 198988734, 226458903, 249565447, 249565448, 252329443
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Reverse transcriptase (HIV RT) | Target Info | Inhibitor | [2] |
| P2Y purinoceptor 1 (P2RY1) | Target Info | Agonist | [3] | |
| KEGG Pathway | Rap1 signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Platelet activation | ||||
| Reactome | G alpha (q) signalling events | |||
| P2Y receptors | ||||
| ADP signalling through P2Y purinoceptor 1 | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Signal amplification | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 1709). | |||
| REF 2 | Synthesis of 2',3'-dideoxynucleoside 5'-alpha-P-borano-beta,gamma-(difluoromethylene)triphosphates and their inhibition of HIV-1 reverse transcript... J Med Chem. 2005 Apr 7;48(7):2695-700. | |||
| REF 3 | An examination of deoxyadenosine 5'(alpha-thio)triphosphate as a ligand to define P2Y receptors and its selectivity as a low potency partial agonist of the P2Y1 receptor. Br J Pharmacol. 1997 May;121(2):338-44. | |||
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