| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 30 | No |
Popular Name: (E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]-3-(p-tolyl)prop-2-enamide (E)-N-[4-methyl-2-(4-methylpiper…
| 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) | 4.91 | 9.52 | -32.76 | 2 | 5 | 1 | 50 | 401.534 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 11.73 | -46.88 | 2 | 5 | 1 | 50 | 401.534 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 9.26 | -15.85 | 1 | 5 | 0 | 48 | 400.526 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 45 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 45 | 0.34 | Binding ≤ 1μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 45 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
