In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 34 | Yes |
Popular Name: DNC011040 DNC011040
None
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) | 5.17 | 14.31 | -97.7 | 2 | 6 | 2 | 34 | 468.686 | 11 | ↓ |
Hi High (pH 8-9.5) | 5.17 | 9.87 | -8.27 | 0 | 6 | 0 | 31 | 466.67 | 11 | ↓ |
Mid Mid (pH 6-8) | 5.17 | 12.09 | -44.11 | 1 | 6 | 1 | 33 | 467.678 | 11 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8 | 0.33 | Binding ≤ 10μM |
5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 28 | 0.31 | Binding ≤ 10μM |
KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 2400 | 0.23 | Binding ≤ 10μM |
DRD2-11-E | Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic | Eukaryotes | 27 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 27 | 0.31 | Binding ≤ 1μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 8 | 0.33 | Binding ≤ 1μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 28 | 0.31 | Binding ≤ 1μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 27 | 0.31 | Binding ≤ 10μM |
KCNH2_HUMAN | Q12809 | HERG, Human | 2400 | 0.23 | Binding ≤ 10μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 8 | 0.33 | Binding ≤ 10μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 28 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
Dopamine receptors | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Serotonin receptors | |
Voltage gated Potassium channels |