| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 29 | Yes |
Popular Name: 2-propyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one 2-propyl-3-[4-(3-pyrrolidin-1-yl…
| 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) | 4.25 | 13.73 | -44.14 | 1 | 5 | 1 | 49 | 392.523 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
| KCNH2-3-E | HERG (cluster #3 Of 5), Eukaryotic | Eukaryotes | 2800 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.21875 | 0.47 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 2800 | 0.27 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.21875 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors | |
| Voltage gated Potassium channels |
