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Name | CHEMBL511773 |
---|---|
Molecular formula | C31H34N2O3 |
IUPAC name | (1S,2S,16R,24R)-25-(cyclopropylmethyl)-19-methoxy-17-oxa-14,25-diazaoctacyclo[16.9.1.15,9.01,16.02,24.04,15.022,28.014,29]nonacosa-4(15),5,7,9(29),18,20,22(28)-heptaen-2-ol |
Molecular weight | 482.624 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | BDBM50261727 (5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro-4,5-epoxy-3-methoxy-4'',5'',6'',7''-tetradehydro-azepino[3,2,1-hi]indolo[2'',1'':6,7]morphinan-14-ol |
Inchi Key | CNRASBPTPOATLU-CTZUUEIXSA-N |
Inchi ID | InChI=1S/C31H34N2O3/c1-35-23-11-10-20-15-24-31(34)16-22-21-7-4-6-19-5-2-3-13-33(26(19)21)27(22)29-30(31,25(20)28(23)36-29)12-14-32(24)17-18-8-9-18/h4,6-7,10-11,18,24,29,34H,2-3,5,8-9,12-17H2,1H3/t24-,29+,30+,31-/m1/s1 |
PubChem CID | 24949689 |
ChEMBL | CHEMBL511773 |
IUPHAR | N/A |
BindingDB | 50261727 |
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 |
---|---|---|---|---|---|
46269 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
46270 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
46271 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
46272 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
46273 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
46268 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
46274 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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