In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 27 | Yes |
Popular Name: N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine N-[4-[2-(4-pyrimidin-2-ylpiperaz…
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) | 2.48 | 11.86 | -44.17 | 2 | 7 | 1 | 71 | 368.509 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5977110; WO1997011070A1 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT1A-4-E | Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 9 | 0.42 | Binding ≤ 10μM |
DRD3-2-E | Dopamine D3 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 590 | 0.32 | Binding ≤ 10μM |
DRD2-6-E | Dopamine D2 Receptor (cluster #6 Of 24), Eukaryotic | Eukaryotes | 240 | 0.34 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 240 | 0.34 | Binding ≤ 1μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 590 | 0.32 | Binding ≤ 1μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 8.6 | 0.42 | Binding ≤ 1μM |
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 240 | 0.34 | Binding ≤ 10μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 590 | 0.32 | Binding ≤ 10μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 8.6 | 0.42 | Binding ≤ 10μM |
Description | Species |
---|---|
Dopamine receptors | |
G alpha (i) signalling events |