| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 28 | Yes |
Popular Name: LS-193569 LS-193569
None
| 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) | 3.90 | 8.25 | -50.37 | 3 | 5 | 1 | 62 | 373.48 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.90 | 8.7 | -100.57 | 4 | 5 | 2 | 63 | 374.488 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 200 | 0.33 | Binding ≤ 10μM |
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 61 | 0.36 | Binding ≤ 10μM |
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 200 | 0.33 | Binding ≤ 1μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 122 | 0.35 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 200 | 0.33 | Binding ≤ 10μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 122 | 0.35 | Binding ≤ 10μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 12 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors | |
| Voltage gated Potassium channels |
