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Name | CHEMBL3325787 |
---|---|
Molecular formula | C32H36N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 552.679 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | BDBM50055845 |
Inchi Key | QADYICPXCLUKAL-DQEYMECFSA-N |
Inchi ID | InChI=1S/C32H36N6O3/c1-5-6-30(39)27-15-33-38(21(27)3)23-10-8-22(9-11-23)34-32(41)28-18-36(29-12-7-20(2)13-26(28)29)19-31(40)37-17-24-14-25(37)16-35(24)4/h7-13,15,18,24-25H,5-6,14,16-17,19H2,1-4H3,(H,34,41)/t24-,25-/m0/s1 |
PubChem CID | 118711179 |
ChEMBL | CHEMBL3325787 |
IUPHAR | N/A |
BindingDB | 50055845 |
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 |
---|---|---|---|---|---|
452496 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
452497 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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