| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 20 | Yes |
Popular Name: Dextromethorphan Dextromethorphan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 125-69-9 , 125-71-3 , 510-53-2 , [125-69-9]
(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene
(9alpha,13alpha,14alpha)-3-Methoxy-17-methylmorphinan hydrobromide
125-71-3; C06947; Dextromethorphan
Benylin Adult Formula Cough Suppressant
Benylin DM for Children 12 Hour
Benylin Pediatric Cough Suppressant
DXM; Dextromethorphan; d-Methorphan; delta-Methorphan
Pertussin CS Children's Strength
Robitussin Maximum Strength Cough Suppressant
Robitussin Pediatric Cough Suppressant
Sucrets 4 Hour Cough Suppressant
| 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) | 3.94 | 8.86 | -39.88 | 1 | 2 | 1 | 14 | 272.412 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 8.51e-03 g/l | DrugBank-approved |
| biological_use | Anticonvulsant and neuroprotective props. | IBScreen Bioactives |
| biological_use | Antitussive | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0204951A2; EP0204951B1; EP0270290A2; EP0277741A1; EP0294103A1; EP0315332A1; EP0315886A2; EP0367746A2; EP0844241A1; US4797410; US6107330; WO1984004674A1; WO1995007079A1; WO2000035296A1; WO2000035298A1 | IBM Patent Data |
| Patent Database Links | EP1498114; EP1559418; EP1634597; EP1649857; EP1674078; EP1700601; EP1785145; EP1829539; EP1880717; EP1902733; EP1913944; EP1980252; US2003028026; US2005107415; US2006258721; US2007178123; US2007191411; US2007197661; US2007203144; US2007203164; US200721551 | ChEBI |
| mechanism | NMDA receptor antagonist | IBScreen Bioactives |
| Reactome Database Links | REACT_323 | ChEBI |
| Purity | USP24 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 1μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 1μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 10μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 0.1 | 0.70 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Xenobiotics |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
