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Name | CHEMBL307235 |
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Molecular formula | C23H28Cl2N2O3 |
IUPAC name | 2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,7S,8S)-3-methylidene-2-oxo-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide |
Molecular weight | 451.388 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.5 |
Synonyms | 2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-oxo-8-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-7-yl)-acetamide(SMBU-1) BDBM50000786 2-(3,4-Dichlorophenyl)-N-methyl-N-[(5S)-3-methylene-2-oxo-8beta-(1-pyrrolidinyl)-1-oxaspiro[4.5]decan-7alpha-yl]acetamide |
Inchi Key | AIGXNGMYDUNNBN-JTAQYXEDSA-N |
Inchi ID | InChI=1S/C23H28Cl2N2O3/c1-15-13-23(30-22(15)29)8-7-19(27-9-3-4-10-27)20(14-23)26(2)21(28)12-16-5-6-17(24)18(25)11-16/h5-6,11,19-20H,1,3-4,7-10,12-14H2,2H3/t19-,20-,23-/m0/s1 |
PubChem CID | 15177773 |
ChEMBL | CHEMBL307235 |
IUPHAR | N/A |
BindingDB | 50000786 |
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 |
---|---|---|---|---|---|
6200 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
6199 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
6198 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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