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Name | CHEMBL227828 |
---|---|
Molecular formula | C29H29N3O4S |
IUPAC name | (3R)-N-[(4R)-7-(aminomethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide |
Molecular weight | 515.628 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | BDBM50209721 (R)-N-((R)-7-(aminomethyl)chroman-4-yl)-3-(naphthalene-3-sulfonamido)-3-phenylpropanamide |
Inchi Key | APFXRXGTYBRQJC-KAYWLYCHSA-N |
Inchi ID | InChI=1S/C29H29N3O4S/c30-19-20-10-13-25-26(14-15-36-28(25)16-20)31-29(33)18-27(22-7-2-1-3-8-22)32-37(34,35)24-12-11-21-6-4-5-9-23(21)17-24/h1-13,16-17,26-27,32H,14-15,18-19,30H2,(H,31,33)/t26-,27-/m1/s1 |
PubChem CID | 16220913 |
ChEMBL | CHEMBL227828 |
IUPHAR | N/A |
BindingDB | 50209721 |
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 |
---|---|---|---|---|---|
10940 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
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