| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 27 | Yes |
Popular Name: 2,8-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole 2,8-dimethyl-5-[2-[4-(trifluorom…
| 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) | 5.36 | 14.82 | -43.73 | 1 | 2 | 1 | 9 | 373.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.36 | 12.43 | -7.56 | 0 | 2 | 0 | 8 | 372.434 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R-1-E | 5-hydroxytryptamine Receptor 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4070 | 0.28 | Functional ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 98 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 98 | 0.36 | Functional ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 4070 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors | |
| Serotonin receptors |
