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Name | CHEMBL375288 |
---|---|
Molecular formula | C24H20Cl2N4O3 |
IUPAC name | methyl 4-chloro-2-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]pyridin-2-yl]amino]ethyl]phenyl]benzoate |
Molecular weight | 483.349 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | 5-chloro-4''-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester BDBM50157518 |
Inchi Key | AFGWMUJUAMFDHR-CQSZACIVSA-N |
Inchi ID | InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(20(26)10-12-28-23)30-21(31)9-11-27)15-3-5-16(6-4-15)19-13-17(25)7-8-18(19)24(32)33-2/h3-8,10,12-14H,9H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1 |
PubChem CID | 11167607 |
ChEMBL | CHEMBL375288 |
IUPHAR | N/A |
BindingDB | 50157518 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4145 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
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