Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E0LI
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| Former ID |
DIB018840
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| Drug Name |
amino-propylphosphinic acid
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| Synonyms |
Diadenosine diphosphate; AC1L4MLM; [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acid; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 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 |
C20H26N10O13P2
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| Canonical SMILES |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(OC(C4O)N5C=NC6=C(N=CN=C65)N)CO)O)O)N
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| InChI |
1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20+/m1/s1
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| InChIKey |
FHISWBUCBBVWGG-SNESVTBZSA-N
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| CAS Number |
CAS 14938-28-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gamma-aminobutyric acid B receptor (GABBR) | Target Info | Agonist | [2], [3] |
| KEGG Pathway | cAMP signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| GABAergic synapse | ||||
| Estrogen signaling pathway | ||||
| Morphine addiction | ||||
| Reactome | Activation of G protein gated Potassium channels | |||
| G alpha (i) signalling events | ||||
| Class C/3 (Metabotropic glutamate/pheromone receptors) | ||||
| Inhibition of voltage gated Ca2+ channels via Gbeta/gamma subunits | ||||
| WikiPathways | GPCRs, Class C Metabotropic glutamate, pheromone | |||
| Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | ||||
| Potassium Channels | ||||
| 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: 1065). | |||
| REF 2 | 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. (Target id: 242). | |||
| REF 3 | Expression cloning of GABA(B) receptors uncovers similarity to metabotropic glutamate receptors. Nature. 1997 Mar 20;386(6622):239-46. | |||
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