| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 23 | Yes |
Popular Name: 2-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}imidazo[1,2-a]pyridine 2-{[4-(4-fluorophenyl)-1-piperaz…
| 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) | 3.10 | 7.9 | -31.24 | 1 | 4 | 1 | 25 | 311.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 10.21 | -110.06 | 2 | 4 | 2 | 26 | 312.392 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 7.48 | -10.59 | 0 | 4 | 0 | 24 | 310.376 | 3 | ↓ |
| 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 | 3600 | 0.33 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 860 | 0.37 | Binding ≤ 10μM |
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 260 | 0.40 | Binding ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 260 | 0.40 | Binding ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 260 | 0.40 | Binding ≤ 10μM |
| DRD1-2-E | Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 8400 | 0.31 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.34 | Binding ≤ 10μM |
| DRD4-4-E | Dopamine D4 Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 44 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 260 | 0.40 | Binding ≤ 1μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 260 | 0.40 | Binding ≤ 1μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 260 | 0.40 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 44 | 0.45 | Binding ≤ 1μM |
| 5HT2A_PIG | P50129 | Serotonin 2a (5-HT2a) Receptor, Pig | 860 | 0.37 | Binding ≤ 1μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 260 | 0.40 | Binding ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 260 | 0.40 | Binding ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 260 | 0.40 | Binding ≤ 10μM |
| DRD1_PIG | P50130 | Dopamine D1 Receptor, Pig | 8400 | 0.31 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 3100 | 0.34 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 44 | 0.45 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 3600 | 0.33 | Binding ≤ 10μM |
| 5HT2A_PIG | P50129 | Serotonin 2a (5-HT2a) Receptor, Pig | 860 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| Dopamine receptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Serotonin receptors |
