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Name | CHEMBL3325632 |
---|---|
Molecular formula | C30H34N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-[[(3S)-pyrrolidin-3-yl]amino]ethyl]indole-3-carboxamide |
Molecular weight | 526.641 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 3.3 |
Synonyms | BDBM50100188 |
Inchi Key | JSKVQBWLDKBSQH-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C30H34N6O3/c1-4-5-28(37)25-16-32-36(20(25)3)23-9-7-21(8-10-23)34-30(39)26-17-35(27-11-6-19(2)14-24(26)27)18-29(38)33-22-12-13-31-15-22/h6-11,14,16-17,22,31H,4-5,12-13,15,18H2,1-3H3,(H,33,38)(H,34,39)/t22-/m0/s1 |
PubChem CID | 118711070 |
ChEMBL | CHEMBL3325632 |
IUPHAR | N/A |
BindingDB | 50100188 |
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 |
---|---|---|---|---|---|
447958 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
447959 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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