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Name | CHEMBL601447 |
---|---|
Molecular formula | C36H51N7O7 |
IUPAC name | (4S)-4-[[4-[4-(diethylcarbamoyl)piperazin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid |
Molecular weight | 693.846 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50306964 (S)-4-(4-(4-(diethylcarbamoyl)piperazin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid |
Inchi Key | BGPILGQGXWSFLA-LJAQVGFWSA-N |
Inchi ID | InChI=1S/C36H51N7O7/c1-4-7-11-24-50-36(49)43-22-18-41(19-23-43)34(47)29(14-15-32(44)45)38-33(46)31-26-28(25-30(37-31)27-12-9-8-10-13-27)40-16-20-42(21-17-40)35(48)39(5-2)6-3/h8-10,12-13,25-26,29H,4-7,11,14-24H2,1-3H3,(H,38,46)(H,44,45)/t29-/m0/s1 |
PubChem CID | 46232920 |
ChEMBL | CHEMBL601447 |
IUPHAR | N/A |
BindingDB | 50306964 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
23278 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218