You can:
| Name | CHEMBL578482 |
|---|---|
| Molecular formula | C35H50N6O7 |
| IUPAC name | pentyl 4-[(2S)-2-[[4-[[2-(dimethylamino)acetyl]amino]-6-phenylpyridine-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate |
| Molecular weight | 666.82 |
| Hydrogen bond acceptor | 9 |
| Hydrogen bond donor | 2 |
| XlogP | 3.6 |
| Synonyms | BDBM50307564 (4S)4-[({4-[(N,N-Dimethylglycyl)mino]-6-phenylpyridin-2-yl}carbonyl)mino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic acid |
| Inchi Key | ANKCAPALFVNBKG-MHZLTWQESA-N |
| Inchi ID | InChI=1S/C35H50N6O7/c1-7-8-12-21-47-34(46)41-19-17-40(18-20-41)33(45)27(15-16-31(43)48-35(2,3)4)38-32(44)29-23-26(36-30(42)24-39(5)6)22-28(37-29)25-13-10-9-11-14-25/h9-11,13-14,22-23,27H,7-8,12,15-21,24H2,1-6H3,(H,38,44)(H,36,37,42)/t27-/m0/s1 |
| PubChem CID | 46233232 |
| ChEMBL | CHEMBL578482 |
| IUPHAR | N/A |
| BindingDB | 50307564 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 9631 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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