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Name | CHEMBL263686 |
---|---|
Molecular formula | C36H47F3N3O+ |
IUPAC name | N-[2-(1-azoniabicyclo[2.2.2]octan-1-yl)quinolin-6-yl]-13-[4-(trifluoromethyl)phenyl]tridecanamide |
Molecular weight | 594.787 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 10.5 |
Synonyms | BDBM50193678 1-(6-{13-[4-(trifluoromethyl)phenyl]tridecanamido}quinolin-2-yl)-1-azabicyclo[2.2.2]octan-1-ylium |
Inchi Key | DHGGHSPKBKPGOG-UHFFFAOYSA-O |
Inchi ID | InChI=1S/C36H46F3N3O/c37-36(38,39)31-16-13-28(14-17-31)11-9-7-5-3-1-2-4-6-8-10-12-35(43)40-32-18-19-33-30(27-32)15-20-34(41-33)42-24-21-29(22-25-42)23-26-42/h13-20,27,29H,1-12,21-26H2/p+1 |
PubChem CID | 44417956 |
ChEMBL | CHEMBL263686 |
IUPHAR | N/A |
BindingDB | 50193678 |
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 |
---|---|---|---|---|---|
59962 | Melanin-concentrating hormone receptor 1 | P97639 | Mchr1 | Rattus norvegicus (Rat) | 353 |
59963 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
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