| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 30 | Yes |
Popular Name: 4-benzyloxy-1-[4-[2-diethylaminoethyl(methyl)amino]phenyl]pyridin-2-one 4-benzyloxy-1-[4-[2-diethylamino…
| 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) | 4.41 | 13.97 | -44.77 | 1 | 5 | 1 | 39 | 406.55 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 11.86 | -12.77 | 0 | 5 | 0 | 38 | 405.542 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-3-E | HERG (cluster #3 Of 5), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 16 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 1.7 | 0.41 | Binding ≤ 1μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 16 | 0.36 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1.7 | 0.41 | Binding ≤ 10μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 16 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors | |
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.
