Bioactive Compound Details
| BioID | bio183769 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL374931 |
| Molecular Formula | C11H18N5O13P3 |
| Molecular Weight | 521.21 |
| Molecular Weight (Monoisotopic) | 521.0114 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar57 |
| Target Name | None |
| Synonyms | 2'C-Me-ATP |
| Smiles | C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21 |
| Inchi | InChI=1S/C11H18N5O13P3/c1-11(18)7(17)5(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,10-,11-/m1/s1 |
| Inchi Key | WSLFELNQZRKOJA-YRKGHMEHSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | 1.35 |
| Records Key | [2'-C-Me-ATP", "2'C-Me-ATP", '85']" |
| Records Name | [2'-C-Me-ATP", "2'C-Me-ATP", '((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate']" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
