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Name | SCHEMBL16945023 |
---|---|
Molecular formula | C22H26FN5O |
IUPAC name | N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine |
Molecular weight | 395.482 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | US9682966, 481 BDBM158394 |
Inchi Key | AFVZPBXGBZUBMQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26FN5O/c1-14-24-21(27-29-14)19-12-15-6-7-16(23)13-20(15)26-22(19)28-10-8-18(9-11-28)25-17-4-2-3-5-17/h6-7,12-13,17-18,25H,2-5,8-11H2,1H3 |
PubChem CID | 118264053 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 158394 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
536048 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417