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Name | Naloxonazine |
---|---|
Molecular formula | C38H42N4O6 |
IUPAC name | (4R,4aS,7E,7aR,12bS)-7-[(E)-[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol |
Molecular weight | 650.776 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 4 |
XlogP | 4.0 |
Synonyms | 1-(1-(3-Isothiocyanato)phenyl)cyclohexylpiperidine GTPL1677 NSC 612113, Bis-[5-|A-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)-morphinan-6-ylidene] hydrazine dihydrochloride AB01275526-01 Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, ((5alpha)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-ylidene)hydrazone, (5alpha)- [ Show all ] |
Inchi Key | AJPSBXJNFJCCBI-YOHUGVJRSA-N |
Inchi ID | InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1 |
PubChem CID | 9576413 |
ChEMBL | CHEMBL1618305 |
IUPHAR | N/A |
BindingDB | 50135225 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
7111 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
7112 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
7113 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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