| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 16 | Yes |
223420-20-0; Cipralisant maleate (USAN); D03518; Perceptin (TN)
5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole
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) | 3.59 | 10.08 | -35.56 | 2 | 2 | 1 | 30 | 217.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 9.61 | -9.25 | 1 | 2 | 0 | 29 | 216.328 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 9.6 | -6.67 | 1 | 2 | 0 | 29 | 216.328 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.76 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 2.15 | 0.76 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 0.12 | 0.87 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 2.15 | 0.76 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 0.12 | 0.87 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
