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Name | CHEMBL244284 |
---|---|
Molecular formula | C27H33BrClN7O2 |
IUPAC name | 4-bromo-5-[(2-chlorobenzoyl)amino]-1-[2-(dimethylamino)ethyl]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide |
Molecular weight | 602.962 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | BDBM50222679 4-bromo-5-(2-chlorobenzoylamino)-1-(2-dimethylaminoethyl)-1H-pyrazole-3-carboxylic acid [2-(3,4,5,6-tetrahydro-2H-[1,4'']bipyridinyl-4-yl)ethyl]amide |
Inchi Key | AWYVOTLFOBPIEN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H33BrClN7O2/c1-34(2)17-18-36-25(32-26(37)21-5-3-4-6-22(21)29)23(28)24(33-36)27(38)31-14-7-19-10-15-35(16-11-19)20-8-12-30-13-9-20/h3-6,8-9,12-13,19H,7,10-11,14-18H2,1-2H3,(H,31,38)(H,32,37) |
PubChem CID | 23630615 |
ChEMBL | CHEMBL244284 |
IUPHAR | N/A |
BindingDB | 50222679 |
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 |
---|---|---|---|---|---|
16465 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
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