Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0UG4S
|
|||
| Former ID |
DIB020196
|
|||
| Drug Name |
L-betagamma-meATP
|
|||
| Synonyms |
UFZTZBNSLXELAL-IOSLPCCCSA-N; AMP-PCP; beta,gamma-Methylene ATP; phosphomethylphosphonic acid adenylate ester; CHEMBL133463; CHEBI:40532; 5'-O-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)adenosine; ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE; ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE; 3469-78-1; adenosine 5'-beta,gamma-mu-methylenetriphosphate; ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid; AMPPCP; betagamma-methylene-adenosine 5'-triphosphate; Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C11H18N5O12P3
|
|||
| Canonical SMILES |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
|
|||
| InChI |
1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
|
|||
| InChIKey |
UFZTZBNSLXELAL-IOSLPCCCSA-N
|
|||
| CAS Number |
CAS 3469-78-1
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
586330, 820361, 822395, 822415, 822419, 822440, 822540, 823353, 824010, 824286, 825729, 825731, 828294, 831722, 832838, 837798, 854758, 855363, 7838931, 7885692, 8009903, 8023196, 10224862, 10317456, 11110034, 11538286, 11538290, 14709984, 14710014, 14710554, 15047277, 15382394, 22394507, 22394514, 24277183, 24697975, 24771060, 24771070, 24778912, 24874890, 26704341, 26704344, 26706102, 26706104, 26716517, 26737160, 26737176, 26737189, 26737208, 26744211
|
|||
| ChEBI ID |
CHEBI:40532
|
|||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| 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. (Ligand id: 4236). | |||
| REF 3 | 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: 478). | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.