| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 32 | Yes |
Popular Name: 7-[6-chloro-4-(4-fluorophenyl)-2-isopropyl-3-quinolyl]-3,5-dihydroxy-hept-6-enoic 7-[6-chloro-4-(4-fluorophenyl)-2…
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) | 5.25 | -1.45 | -52.42 | 2 | 5 | -1 | 93 | 456.921 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | -1.27 | -69.03 | 3 | 5 | 0 | 94 | 457.929 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4761419 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH-2-E | HMG-CoA Reductase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 480 | 0.28 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 92 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH_RAT | P51639 | HMG-CoA Reductase, Rat | 480 | 0.28 | Binding ≤ 1μM |
| HMDH_RAT | P51639 | HMG-CoA Reductase, Rat | 480 | 0.28 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 184 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
