| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 25 | No |
Popular Name: DNC009027 DNC009027
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) | 0.44 | 4.19 | -119.07 | 1 | 7 | -2 | 127 | 384.346 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.35e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-1-E | Squalene Synthetase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 169 | 0.38 | Binding ≤ 10μM |
| FDFT-1-E | Squalene Synthetase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1900 | 0.32 | Binding ≤ 10μM |
| CRTM-1-B | Dehydrosqualene Synthase (cluster #1 Of 1), Bacterial | Bacteria | 7900 | 0.29 | Binding ≤ 10μM |
| Z50185-2-O | Staphylococcus Aureus (cluster #2 Of 4), Other | Other | 110 | 0.39 | Functional ≤ 10μM |
| Z50185-2-O | Staphylococcus Aureus (cluster #2 Of 4), Other | Other | 310 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 169 | 0.38 | Binding ≤ 1μM |
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 23 | 0.43 | Binding ≤ 1μM |
| CRTM_STAAU | A9JQL9 | Dehydrosqualene Synthase, Staau | 7900 | 0.29 | Binding ≤ 10μM |
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 169 | 0.38 | Binding ≤ 10μM |
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 23 | 0.43 | Binding ≤ 10μM |
| Z50185 | Z50185 | Staphylococcus Aureus | 110 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
