| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 11 | No |
Popular Name: imetit dihydrobromide imetit dihydrobromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102203-18-9 , 32385-58-3 , [32385-58-3]
S-[2-(Imidazol-4-yl)ethyl]isothiourea 2HBr
S-{2-[1H-imidazol-4-yl]ethyl}isothiourea dihydrobromide; imetit hydrobromide
| 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) | -0.05 | 2.31 | -83.11 | 6 | 4 | 2 | 82 | 172.257 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 1.84 | -31.45 | 5 | 4 | 1 | 80 | 171.249 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 1.11 | Binding ≤ 10μM |
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6 | 1.05 | Binding ≤ 10μM |
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 1.06 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1 | 1.15 | Binding ≤ 1μM |
| HRH3_MOUSE | P58406 | Histamine H3 Receptor, Mouse | 2 | 1.11 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.57 | 1.18 | Binding ≤ 1μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 1.6 | 1.12 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.57 | 1.18 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1 | 1.15 | Binding ≤ 10μM |
| HRH3_MOUSE | P58406 | Histamine H3 Receptor, Mouse | 2 | 1.11 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 1.6 | 1.12 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 4.6 | 1.06 | Functional ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1 | 1.15 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.