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Name | pentazocine |
---|---|
Molecular formula | C19H27NO |
IUPAC name | (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol |
Molecular weight | 285.431 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | Pentazocine (JP15/USP/INN) Pentazocine,(+/-) Talacen (TN) (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol WIN 20228 [ Show all ] |
Inchi Key | VOKSWYLNZZRQPF-GDIGMMSISA-N |
Inchi ID | InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1 |
PubChem CID | 441278 |
ChEMBL | CHEMBL560 |
IUPHAR | 1606 |
BindingDB | 50001028 |
DrugBank | DB00652 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
360209 | D(1A) dopamine receptor | Q95136 | DRD1 | Bos taurus (Bovine) | 446 |
556974 | D(2) dopamine receptor | P20288 | DRD2 | Bos taurus (Bovine) | 444 |
360210 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
462315 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
360207 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
360208 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
360211 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
360212 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
360213 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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