In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 20 | Yes |
Popular Name: 1-(cyclopropylmethyl)-4-[(3,4-dichlorophenoxy)methyl]piperidine 1-(cyclopropylmethyl)-4-[(3,4-di…
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) | 4.95 | 10.9 | -38 | 1 | 2 | 1 | 14 | 315.264 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 87 | 0.49 | Binding ≤ 10μM |
5HT2B-3-E | Serotonin 2b (5-HT2b) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 87 | 0.49 | Binding ≤ 10μM |
5HT2C-3-E | Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 87 | 0.49 | Binding ≤ 10μM |
SGMR1-3-E | Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic | Eukaryotes | 8 | 0.57 | Binding ≤ 10μM |
DRD2-21-E | Dopamine D2 Receptor (cluster #21 Of 24), Eukaryotic | Eukaryotes | 1652 | 0.40 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 87 | 0.49 | Binding ≤ 1μM |
5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 87 | 0.49 | Binding ≤ 1μM |
5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 87 | 0.49 | Binding ≤ 1μM |
SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 8 | 0.57 | Binding ≤ 1μM |
DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 1652 | 0.40 | Binding ≤ 10μM |
5HT2A_MOUSE | P35363 | Serotonin 2a (5-HT2a) Receptor, Mouse | 87 | 0.49 | Binding ≤ 10μM |
5HT2B_MOUSE | Q02152 | Serotonin 2b (5-HT2b) Receptor, Mouse | 87 | 0.49 | Binding ≤ 10μM |
5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 87 | 0.49 | Binding ≤ 10μM |
SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 8 | 0.57 | Binding ≤ 10μM |
Description | Species |
---|---|
Dopamine receptors | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Serotonin receptors |