In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 35 | Yes |
Popular Name: N-[(3R)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxy-butyl]-9H-fluorene-2-carboxamide N-[(3R)-4-[4-(2,3-dichlorophenyl…
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) | 5.14 | 9.6 | -15.9 | 2 | 5 | 0 | 56 | 510.465 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.14 | 11.93 | -59.59 | 3 | 5 | 1 | 57 | 511.473 | 7 | ↓ |
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 | 1810 | 0.23 | Binding ≤ 10μM |
5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 545 | 0.25 | Binding ≤ 10μM |
5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2830 | 0.22 | Binding ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.35 | Binding ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 42 | 0.30 | Functional ≤ 10μM |
DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 319 | 0.26 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 319 | 0.26 | Binding ≤ 1μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1.8 | 0.35 | Binding ≤ 1μM |
5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 545 | 0.25 | Binding ≤ 1μM |
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 319 | 0.26 | Binding ≤ 10μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1.8 | 0.35 | Binding ≤ 10μM |
5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 1810 | 0.23 | Binding ≤ 10μM |
5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 545 | 0.25 | Binding ≤ 10μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 2830 | 0.22 | Binding ≤ 10μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 42 | 0.30 | Functional ≤ 10μM |
Description | Species |
---|---|
Dopamine receptors | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Serotonin receptors |