| BioID | bio198443 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1368696 |
|---|
| Molecular Formula | C10H15ClN5O13P3 |
|---|
| Molecular Weight | 541.63 |
|---|
| Molecular Weight (Monoisotopic) | 540.9568 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Chloro-Adenosinetriphosphate |
|---|
| Smiles | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
|---|
| Inchi | InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1 |
|---|
| Inchi Key | RNGCVFCOKZEZFL-UUOKFMHZSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 17.0 |
|---|
| Bioactivities | 29.0 |
|---|
| Np Likeness Score | 1.16 |
|---|
| Records Key | ['5 (2-Cl-ATP)', '12b', 'SID90341276', '6'] |
|---|
| Records Name | ['2-Chloro-Adenosinetriphosphate', 'triPhosphoric acid-[5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester', 'SID90341276', '[[(2R,3S,4R,5R)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]phosphono hydrogen phosphate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
