In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 17 | Yes |
Popular Name: DNC011848 DNC011848
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) | 2.82 | -0.24 | -34.77 | 1 | 3 | 1 | 16 | 235.351 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1993016056A1; WO2000052002A1 | IBM Patent Data |
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 | 249 | 0.54 | Binding ≤ 10μM |
5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3290 | 0.45 | Binding ≤ 10μM |
5HT2B-3-E | Serotonin 2b (5-HT2b) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3290 | 0.45 | Binding ≤ 10μM |
5HT2C-3-E | Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3290 | 0.45 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 249 | 0.54 | Binding ≤ 1μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 249 | 0.54 | Binding ≤ 10μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 3290 | 0.45 | Binding ≤ 10μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 3290 | 0.45 | Binding ≤ 10μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 3290 | 0.45 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Serotonin receptors |