| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2005 | 22 | Yes |
Popular Name: 5-Benzyloxy-N,N-dimethyltryptamine, oxalate salt 5-Benzyloxy-N,N-dimethyltryptami…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101832-88-6 , [101832-88-6]
2-(5-(Benzyloxy)-1H-indol-3-yl)-N,N-dimethylethanamine oxalate
5-Benzyloxy-[3-(2-dimethylaminoethyl)]indole hydrogenoxalate
| 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) | 3.92 | 1.39 | -38.2 | 2 | 3 | 1 | 29 | 295.406 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-3-E | Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 25 | 0.48 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 76 | 0.45 | Binding ≤ 10μM |
| TRPM8-1-E | Transient Receptor Potential Cation Channel Subfamily M Member 8 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5960 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 25 | 0.48 | Binding ≤ 1μM |
| 5HT1D_HUMAN | P28221 | Serotonin 1d (5-HT1d) Receptor, Human | 76 | 0.45 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 25 | 0.48 | Binding ≤ 10μM |
| 5HT1D_HUMAN | P28221 | Serotonin 1d (5-HT1d) Receptor, Human | 76 | 0.45 | Binding ≤ 10μM |
| TRPM8_HUMAN | Q7Z2W7 | Transient Receptor Potential Cation Channel Subfamily M Member 8, Human | 5630 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Serotonin receptors | |
| TRP channels |
