| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 21 | Yes |
Popular Name: Pentazocine Pentazocine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 359-83-1 , 64024-15-3
1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol
1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol
2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-
2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
2-(3,3-Dimethylallyl)cyclazocine
2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan
3-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
64024-15-3; D02227; Pentazocine hydrochloride (JAN/USP); Sosegon (TN); Talacen (TN)
L-Pentazocine;Pentazocaine;Pentazocin
Pentazocine [USAN:INN:BAN:JAN]
Pentazocine, Pentazocin, Sosegon, WIN 20228
USP); Pentazocine Hydrochloride (FDA
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.59 | 0.88 | -38.19 | 2 | 2 | 1 | 24 | 286.439 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.22e-01 g/l | DrugBank-approved |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMD3B-3-E | Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic | Eukaryotes | 842 | 0.40 | Binding ≤ 10μM |
| NMDE2-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 842 | 0.40 | Binding ≤ 10μM |
| NMDE3-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 842 | 0.40 | Binding ≤ 10μM |
| NMDE4-3-E | Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 842 | 0.40 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 49 | 0.49 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 87 | 0.47 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3 | 0.57 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 75 | 0.47 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7 | 0.54 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 87 | 0.47 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9 | 0.54 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 87 | 0.47 | Binding ≤ 10μM |
| Z100491-1-O | Sigma 2 Receptor (cluster #1 Of 2), Other | Other | 29 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 180 | 0.45 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 1μM |
| NMD3B_RAT | Q8VHN2 | Glutamate [NMDA] Receptor Subunit 3B, Rat | 842 | 0.40 | Binding ≤ 1μM |
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 842 | 0.40 | Binding ≤ 1μM |
| NMDE3_RAT | Q00961 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat | 842 | 0.40 | Binding ≤ 1μM |
| NMDE4_RAT | Q62645 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Rat | 842 | 0.40 | Binding ≤ 1μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 75 | 0.47 | Binding ≤ 1μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 3.9 | 0.56 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 1μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 29 | 0.50 | Binding ≤ 1μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 3.77 | 0.56 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 3.09 | 0.57 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 180 | 0.45 | Binding ≤ 10μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 10μM |
| NMD3B_RAT | Q8VHN2 | Glutamate [NMDA] Receptor Subunit 3B, Rat | 842 | 0.40 | Binding ≤ 10μM |
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 842 | 0.40 | Binding ≤ 10μM |
| NMDE3_RAT | Q00961 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat | 842 | 0.40 | Binding ≤ 10μM |
| NMDE4_RAT | Q62645 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Rat | 842 | 0.40 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 75 | 0.47 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 3.9 | 0.56 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 10μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 29 | 0.50 | Binding ≤ 10μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 12.5 | 0.53 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 3.77 | 0.56 | Binding ≤ 10μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 3.09 | 0.57 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Unblocking of NMDA receptor, glutamate binding and activation |
