| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 25 | Yes |
Popular Name: 4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1-phenyl-butan-1-one 4-(5-methyl-3,4-dihydro-1H-pyrid…
| 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) | 3.93 | 13.54 | -46.72 | 1 | 3 | 1 | 26 | 333.455 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 22 | 0.43 | Binding ≤ 10μM |
| 5HT5A-1-E | Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 168 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 22 | 0.43 | Binding ≤ 1μM |
| 5HT5A_HUMAN | P47898 | Serotonin 5a (5-HT5a) Receptor, Human | 168 | 0.38 | Binding ≤ 1μM |
| 5HT5A_MOUSE | P30966 | Serotonin 5a (5-HT5a) Receptor, Mouse | 135 | 0.38 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 22 | 0.43 | Binding ≤ 10μM |
| 5HT5A_HUMAN | P47898 | Serotonin 5a (5-HT5a) Receptor, Human | 168 | 0.38 | Binding ≤ 10μM |
| 5HT5A_MOUSE | P30966 | Serotonin 5a (5-HT5a) Receptor, Mouse | 135 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Serotonin receptors |
