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Name | CHEMBL326540 |
---|---|
Molecular formula | C22H28N2O2 |
IUPAC name | 6-[2-[(2S)-2-[[methyl(prop-2-ynyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one |
Molecular weight | 352.478 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 2.5 |
Synonyms | 6-(2-{(S)-2-[(Methyl-prop-2-ynyl-amino)-methyl]-piperidin-1-yl}-2-oxo-ethyl)-3,4-dihydro-2H-naphthalen-1-one 1-[2alpha-[(2-Propynylmethylamino)methyl]piperidino]-2-(1-oxotetralin-6-yl)ethanone BDBM50037592 |
Inchi Key | AOFFWXCMEOFKFK-IBGZPJMESA-N |
Inchi ID | InChI=1S/C22H28N2O2/c1-3-12-23(2)16-19-8-4-5-13-24(19)22(26)15-17-10-11-20-18(14-17)7-6-9-21(20)25/h1,10-11,14,19H,4-9,12-13,15-16H2,2H3/t19-/m0/s1 |
PubChem CID | 10089377 |
ChEMBL | CHEMBL326540 |
IUPHAR | N/A |
BindingDB | 50037592 |
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 |
---|---|---|---|---|---|
10199 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
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