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Name | CHEMBL1210753 |
---|---|
Molecular formula | C32H36F3N3O3S |
IUPAC name | (3R)-3-phenyl-N-[(1R)-6-[3-(propan-2-ylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide |
Molecular weight | 599.713 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 6.0 |
Synonyms | BDBM50322867 SCHEMBL4154440 (R)-N-((R)-6-(3-(isopropylamino)prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide |
Inchi Key | AVACJPQOQGXSMI-LOYHVIPDSA-N |
Inchi ID | InChI=1S/C32H36F3N3O3S/c1-21(2)36-20-22(3)24-15-16-28-25(17-24)11-7-14-29(28)37-31(39)19-30(23-9-5-4-6-10-23)38-42(40,41)27-13-8-12-26(18-27)32(33,34)35/h4-6,8-10,12-13,15-18,21,29-30,36,38H,3,7,11,14,19-20H2,1-2H3,(H,37,39)/t29-,30-/m1/s1 |
PubChem CID | 46911684 |
ChEMBL | CHEMBL1210753 |
IUPHAR | N/A |
BindingDB | 50322867 |
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 |
---|---|---|---|---|---|
15124 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
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