| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 36 | Yes |
Popular Name: N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-(2-pyridylmethyl)butanamide N-[4-[(4-aminocyclohexyl)methyl]…
| 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) | 4.75 | 13.53 | -49.42 | 4 | 5 | 1 | 77 | 487.712 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.75 | 13.93 | -92.28 | 5 | 5 | 2 | 78 | 488.72 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5600 | 0.20 | Binding ≤ 10μM |
| MSHR-1-E | Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4600 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MSHR_MOUSE | Q01727 | Melanocortin Receptor 1, Mouse | 4600 | 0.21 | Binding ≤ 10μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 5600 | 0.20 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
