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Name | naltrexone |
---|---|
Molecular formula | C20H23NO4 |
IUPAC name | (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
Molecular weight | 341.407 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | BCP07022 Prestwick2_000116 BSPBio_000132 SMP1_000206 cid_5485201 [ Show all ] |
Inchi Key | DQCKKXVULJGBQN-XFWGSAIBSA-N |
Inchi ID | InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 |
PubChem CID | 5360515 |
ChEMBL | CHEMBL19019 |
IUPHAR | 1639 |
BindingDB | 60212, 50000787 |
DrugBank | DB00704 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
66182 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
66185 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
66189 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
459824 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
66179 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
66181 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
66186 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
66188 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
66180 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
66183 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
66184 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
66187 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
66190 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
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