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Name | CHEMBL568148 |
---|---|
Molecular formula | C28H31N5O3S |
IUPAC name | [4-[2-[[(2R)-2,3-dihydroxypropyl]amino]-6-ethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone |
Molecular weight | 517.648 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.0 |
Synonyms | BDBM50302459 SCHEMBL4899646 (R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone |
Inchi Key | BQMFRENFUXBROP-JOCHJYFZSA-N |
Inchi ID | InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1 |
PubChem CID | 11670815 |
ChEMBL | CHEMBL568148 |
IUPHAR | N/A |
BindingDB | 50302459 |
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 |
---|---|---|---|---|---|
30445 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218