| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 12 | Yes |
Popular Name: 4-(1H-imidazol-4-ylmethyl)-piperidine 4-(1H-imidazol-4-ylmethyl)-piper…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 151070-83-6 , 164391-47-3
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Mid Mid (pH 6-8) | 0.55 | 4.31 | -43.95 | 3 | 3 | 1 | 45 | 166.248 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 1.05 | Binding ≤ 10μM |
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 22 | 0.89 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.3 | 1.11 | Binding ≤ 1μM |
| HRH3_CAVPO | Q9JI35 | Histamine H3 Receptor, Guinea Pig | 0.4 | 1.10 | Binding ≤ 1μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 19.9526231 | 0.90 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.3 | 1.11 | Binding ≤ 10μM |
| HRH3_CAVPO | Q9JI35 | Histamine H3 Receptor, Guinea Pig | 0.4 | 1.10 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 19.9526231 | 0.90 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.