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Name | CHEMBL284726 |
---|---|
Molecular formula | C35H28Cl2N4O3 |
IUPAC name | 2-[5-(4-cyanobenzoyl)-1-methylpyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-prop-2-enylacetamide |
Molecular weight | 623.534 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 7.1 |
Synonyms | BDBM50126243 N-Allyl-2-[5-(4-cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-acetamide |
Inchi Key | CVGKRCDLVKMYEG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C35H28Cl2N4O3/c1-4-18-41(32(42)19-26-14-16-30(40(26)3)35(43)25-12-9-23(20-38)10-13-25)29-17-15-28(36)27(33(29)37)21-44-31-7-5-6-24-11-8-22(2)39-34(24)31/h4-17H,1,18-19,21H2,2-3H3 |
PubChem CID | 44276716 |
ChEMBL | CHEMBL284726 |
IUPHAR | N/A |
BindingDB | 50126243 |
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 |
---|---|---|---|---|---|
51428 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
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