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Name | MLS004801944 |
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Molecular formula | C18H26BrN3O3 |
IUPAC name | methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate |
Molecular weight | 412.328 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | US9682966, 112 CHEMBL3183591 NCGC00386932-01 SR-02000002311 BDBM155886 [ Show all ] |
Inchi Key | AJYHHWYDOWTOKZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H26BrN3O3/c1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h9-10,13,15-16,21,23H,2-8,11H2,1H3 |
PubChem CID | 60156214 |
ChEMBL | CHEMBL3183591 |
IUPHAR | N/A |
BindingDB | 155282, 155886 |
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 |
---|---|---|---|---|---|
463787 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
463785 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
463786 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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