In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 20 | Yes |
Popular Name: (4aS)-9-chloro-8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[2,1-c]quinoxalin-5-one (4aS)-9-chloro-8-(trifluoromethy…
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) | 1.79 | 2.55 | -53.32 | 3 | 4 | 1 | 49 | 306.695 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 1.13 | -7.42 | 2 | 4 | 0 | 44 | 305.687 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 9 | 0.56 | Binding ≤ 10μM |
5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 516 | 0.44 | Binding ≤ 10μM |
5HT2C-2-E | 5-hydroxytryptamine Receptor 2C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 136 | 0.48 | Functional ≤ 10μM |
5HT2C-2-E | 5-hydroxytryptamine Receptor 2C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2600 | 0.39 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 84 | 0.50 | Binding ≤ 1μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 84 | 0.50 | Binding ≤ 10μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 136 | 0.48 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Serotonin receptors |