| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 31 | Yes |
Popular Name: 4(3H)-Quinazolinone, 2-[4-[(1-cyclobutyl-4-piperidinyl)oxy]phenyl]-8-methoxy-3-methyl- 4(3H)-Quinazolinone, 2-[4-[(1-cy…
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CAS Number: 870997-42-5
| 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) | 3.58 | 11.74 | -46.6 | 1 | 6 | 1 | 58 | 420.533 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| KCNH2-3-E | HERG (cluster #3 Of 5), Eukaryotic | Eukaryotes | 10000 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.15625 | 0.44 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 10000 | 0.23 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.15625 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors | |
| Voltage gated Potassium channels |
