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Name | SCHEMBL16944666 |
---|---|
Molecular formula | C18H27N3O3 |
IUPAC name | methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate |
Molecular weight | 333.432 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.1 |
Synonyms | US9682966, 148 BDBM155936 |
Inchi Key | AJNIGLAHOWKSPB-HZPDHXFCSA-N |
Inchi ID | InChI=1S/C18H27N3O3/c1-24-18(23)14-8-5-10-19-17(14)21-11-9-15(16(22)12-21)20-13-6-3-2-4-7-13/h5,8,10,13,15-16,20,22H,2-4,6-7,9,11-12H2,1H3/t15-,16-/m1/s1 |
PubChem CID | 118263708 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 155936 |
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 |
---|---|---|---|---|---|
557482 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417