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Name | Naltrindole |
---|---|
Molecular formula | C26H26N2O3 |
IUPAC name | (1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol |
Molecular weight | 414.505 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.3 |
Synonyms | (4bs,8r,8as,14br)-7-(Cyclopropylmethyl)-5,6,7,8,14,14b-Hexahydro-4,8-Methano[1]benzofuro[2,3-A]pyrido[4,3-B]carbazole-1,8a(9h)-Diol 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- (9CI) CHEMBL567175 [3H]naltrindole 17-Cyclopropylmethyl-6,7-dehydro-4,5-epoxy-3,14-dihydroxy-6,7,2',3'-indolomorphinan [ Show all ] |
Inchi Key | WIYUZYBFCWCCQJ-IFKAHUTRSA-N |
Inchi ID | InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 |
PubChem CID | 5497186 |
ChEMBL | CHEMBL567175 |
IUPHAR | 3829, 1641 |
BindingDB | 50370067 |
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 |
---|---|---|---|---|---|
374587 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
374588 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
374590 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
374589 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
374591 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
374593 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
374595 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
374592 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
374594 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
374596 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
374597 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
374599 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
374598 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
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