| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 29 | Yes |
Popular Name: 2-[4-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]-6-methoxy-3-methyl-quinazolin-4-one 2-[4-[(2R)-2-hydroxy-3-(isopropy…
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) | 3.07 | 5.73 | -52.79 | 3 | 7 | 1 | 90 | 398.483 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 4.46 | -13.95 | 2 | 7 | 0 | 86 | 397.475 | 8 | ↓ |
| 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 | 5500 | 0.25 | Binding ≤ 10μM |
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.27 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7700 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 2400 | 0.27 | Binding ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 7700 | 0.25 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 5500 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
