| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 31 | Yes |
Popular Name: 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]acetamide 2-(2,4-dichlorophenoxy)-N-[4-met…
| 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) | 5.08 | 9.2 | -39.73 | 2 | 6 | 1 | 59 | 460.385 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 11.41 | -53.37 | 2 | 6 | 1 | 59 | 460.385 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 8.94 | -22.22 | 1 | 6 | 0 | 58 | 459.377 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 610 | 0.28 | Binding ≤ 10μM |
| MCHR1-2-E | Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.37 | Binding ≤ 10μM |
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 89 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 10 | 0.36 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 610 | 0.28 | Binding ≤ 1μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 10 | 0.36 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 610 | 0.28 | Binding ≤ 10μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 89 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors | |
| Serotonin receptors |
