| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2008 | 12 | Yes |
Popular Name: Immethridine dihydrobromide Immethridine dihydrobromide
Find On: PubMed — Wikipedia — Google
CAS Number: 699020-93-4
| 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) | 0.84 | 5.18 | -39.12 | 2 | 3 | 1 | 43 | 160.2 | 2 | ↓ |
| Ref Reference (pH 7) | 0.84 | 5.21 | -39.09 | 2 | 3 | 1 | 43 | 160.2 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 4.7 | -9.63 | 1 | 3 | 0 | 42 | 159.192 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 4.73 | -9.27 | 1 | 3 | 0 | 42 | 159.192 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 5.67 | -85.58 | 3 | 3 | 2 | 44 | 161.208 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 5.64 | -85.81 | 3 | 3 | 2 | 44 | 161.208 | 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 | 251 | 0.77 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.77 | 1.06 | Binding ≤ 1μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 251.188643 | 0.77 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.77 | 1.06 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 251.188643 | 0.77 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.