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Name | CHEMBL3325801 |
---|---|
Molecular formula | C32H37ClN6O4 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 605.136 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | BDBM50100193 SCHEMBL13505807 |
Inchi Key | OWLZQCCDGDPNOK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H37ClN6O4/c1-4-5-30(40)27-19-34-39(22(27)2)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-23(33)18-26(28)29)21-31(41)37-14-12-36(13-15-37)16-17-43-3/h6-11,18-20H,4-5,12-17,21H2,1-3H3,(H,35,42) |
PubChem CID | 66576296 |
ChEMBL | CHEMBL3325801 |
IUPHAR | N/A |
BindingDB | 50100193 |
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 |
---|---|---|---|---|---|
451641 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
451642 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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