| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2011 | 25 | Yes |
Popular Name: N-methyl-N'-phenyl-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethane-1,2-diamine N-methyl-N'-phenyl-N'-[4-(2-pyrr…
| 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) | 4.01 | 11.26 | -86.25 | 3 | 4 | 2 | 34 | 341.499 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 8.75 | -45.13 | 2 | 4 | 1 | 32 | 340.491 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.49 | Binding ≤ 10μM |
| Q63380-1-E | Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 89 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 1.6 | 0.49 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 5.4 | 0.46 | Binding ≤ 1μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 89 | 0.39 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 1.6 | 0.49 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 5.4 | 0.46 | Binding ≤ 10μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 89 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
