| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 9 | Yes |
Popular Name: 3-(1H-imidazol-4-yl)propan-1-amine 3-(1H-imidazol-4-yl)propan-1-amine
Find On: PubMed — Wikipedia — Google
CAS Number: 40546-33-6
| 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) | -0.58 | 2.09 | -91.44 | 5 | 3 | 2 | 58 | 127.191 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 50 | 1.14 | Binding ≤ 10μM |
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 32 | 1.17 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 50.1187234 | 1.14 | Binding ≤ 1μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 31.6227766 | 1.17 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 50.1187234 | 1.14 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 31.6227766 | 1.17 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
