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Name | CHEMBL110190 |
---|---|
Molecular formula | C22H26Cl2N2OS |
IUPAC name | 2-(3,4-dichlorophenyl)-N-methyl-N-[1-(4-methylsulfanylphenyl)-2-pyrrolidin-1-ylethyl]acetamide |
Molecular weight | 437.423 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.1 |
Synonyms | 2-(3,4-Dichloro-phenyl)-N-methyl-N-[1-(4-methylsulfanyl-phenyl)-2-pyrrolidin-1-yl-ethyl]-acetamide BDBM50007373 3,4-Dichloro-N-methyl-N-[1-(4-methylthiophenyl)-2-(1-pyrrolidinyl)ethyl]benzeneacetamide |
Inchi Key | BHKMFILYWFYRAV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26Cl2N2OS/c1-25(22(27)14-16-5-10-19(23)20(24)13-16)21(15-26-11-3-4-12-26)17-6-8-18(28-2)9-7-17/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3 |
PubChem CID | 15130856 |
ChEMBL | CHEMBL110190 |
IUPHAR | N/A |
BindingDB | 50007373 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
23815 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
23816 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
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