| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 29 | Yes |
Popular Name: 6-[2-[6-chloro-4-(4-fluorophenyl)-2-methyl-3-quinolyl]vinyl]-4-hydroxy-tetrahydropyran-2-one 6-[2-[6-chloro-4-(4-fluorophenyl…
| 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) | 5.00 | -0.16 | -12.13 | 1 | 4 | 0 | 59 | 411.86 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH-1-E | HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 720 | 0.30 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 400 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH_RAT | P51639 | HMG-CoA Reductase, Rat | 720 | 0.30 | Binding ≤ 1μM |
| HMDH_RAT | P51639 | HMG-CoA Reductase, Rat | 720 | 0.30 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 400 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
