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Name | CHEMBL286710 |
---|---|
Molecular formula | C33H31ClN4O3 |
IUPAC name | 2-[5-(6-chloropyridine-3-carbonyl)-1-methylpyrrol-2-yl]-N-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide |
Molecular weight | 567.086 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 6.1 |
Synonyms | BDBM50126258 L022419 2-[5-(6-Chloro-pyridine-3-carbonyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide |
Inchi Key | ANVSGCMMXYFPIH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H31ClN4O3/c1-20-9-14-27(22(3)26(20)19-41-29-8-6-7-23-11-10-21(2)36-32(23)29)38(5)31(39)17-25-13-15-28(37(25)4)33(40)24-12-16-30(34)35-18-24/h6-16,18H,17,19H2,1-5H3 |
PubChem CID | 44215784 |
ChEMBL | CHEMBL286710 |
IUPHAR | N/A |
BindingDB | 50126258 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
9931 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
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