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Name | CHEMBL469027 |
---|---|
Molecular formula | C30H32N2O3 |
IUPAC name | (1S,2S,16R,24R)-25-(cyclopropylmethyl)-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)-heptaene-2,19-diol |
Molecular weight | 468.597 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | BDBM50261726 (5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro-4,5-epoxy-4'',5'',6'',7''-tetradehydro-azepino[3,2,1-hi]indolo[2'',1'':6,7]morphinan-3,14-diol |
Inchi Key | FLBOXTBSDMMGNU-UJLGHMMASA-N |
Inchi ID | InChI=1S/C30H32N2O3/c33-22-10-9-19-14-23-30(34)15-21-20-6-3-5-18-4-1-2-12-32(25(18)20)26(21)28-29(30,24(19)27(22)35-28)11-13-31(23)16-17-7-8-17/h3,5-6,9-10,17,23,28,33-34H,1-2,4,7-8,11-16H2/t23-,28+,29+,30-/m1/s1 |
PubChem CID | 24949687 |
ChEMBL | CHEMBL469027 |
IUPHAR | N/A |
BindingDB | 50261726 |
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 |
---|---|---|---|---|---|
81049 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
81055 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
81051 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
81052 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
81054 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
81048 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
81050 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
81053 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
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