| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 30 | Yes |
Popular Name: 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-7-hydroxy-1H-quinazoline-2,4-dione 3-[2-[4-(4-fluorobenzoyl)-1-pipe…
| 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) | 2.31 | 7.7 | -50.56 | 3 | 7 | 1 | 97 | 412.441 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 5.36 | -18.74 | 2 | 7 | 0 | 95 | 411.433 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 6.58 | -45.45 | 2 | 7 | 0 | 100 | 411.433 | 5 | ↓ |
| 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 | 5623 | 0.25 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5623 | 0.25 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5623 | 0.25 | Binding ≤ 10μM |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5623 | 0.25 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| 5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| ADRB2-2-E | Beta-2 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.28 | Binding ≤ 10μM |
| DRD2-4-E | Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic | Eukaryotes | 417 | 0.30 | Binding ≤ 10μM |
| Z104303-1-O | Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other | Other | 1000 | 0.28 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 5 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 15.1356125 | 0.36 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 1000 | 0.28 | Binding ≤ 1μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 164 | 0.32 | Binding ≤ 1μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 1.22 | 0.42 | Binding ≤ 1μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1000 | 0.28 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 1000 | 0.28 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 0.17 | 0.46 | Binding ≤ 1μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 0.17 | 0.46 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 0.17 | 0.46 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 15.1356125 | 0.36 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 1000 | 0.28 | Binding ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 164 | 0.32 | Binding ≤ 10μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 1.22 | 0.42 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1000 | 0.28 | Binding ≤ 10μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 1000 | 0.28 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 4416 | 0.25 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 4416 | 0.25 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 4416 | 0.25 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 4416 | 0.25 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 0.17 | 0.46 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 0.17 | 0.46 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 0.17 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors | |
| Serotonin receptors |
