| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 31 | Yes |
Popular Name: N-[2-[(3S)-3-methylpyrrolidin-1-yl]-6-quinolyl]-3-[4-(trifluoromethyl)phenyl]propanamide N-[2-[(3S)-3-methylpyrrolidin-1-…
| 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) | 5.64 | 12.74 | -13.52 | 1 | 4 | 0 | 45 | 427.47 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.64 | 13.17 | -30.61 | 2 | 4 | 1 | 46 | 428.478 | 6 | ↓ |
| 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 | 2 | 0.39 | Binding ≤ 10μM |
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 2 | 0.39 | Binding ≤ 1μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 2 | 0.39 | Binding ≤ 10μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 400 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
