| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 31 | Yes |
Popular Name: N-[4-[5-(diethylamino)pentyl]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide N-[4-[5-(diethylamino)pentyl]cyc…
| 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) | 5.96 | 12.99 | -38.88 | 1 | 4 | 1 | 42 | 463.63 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAS1-1-E | Cycloartenol Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.27 | Binding ≤ 10μM |
| ERG7-1-E | Lanosterol Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2440 | 0.25 | Binding ≤ 10μM |
| ERG7-1-F | Lanosterol Synthase (cluster #1 Of 2), Fungal | Fungi | 3600 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAS1_ARATH | P38605 | Cycloartenol Synthase, Arath | 1000 | 0.27 | Binding ≤ 1μM |
| CAS1_ARATH | P38605 | Cycloartenol Synthase, Arath | 1000 | 0.27 | Binding ≤ 10μM |
| ERG7_HUMAN | P48449 | Lanosterol Synthase, Human | 2440 | 0.25 | Binding ≤ 10μM |
| ERG7_YEAST | P38604 | Lanosterol Synthase, Yeast | 3600 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
