| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 29 | Yes |
Popular Name: N-[(1S)-1-benzyl-2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]-1H-indole-2-carboxamide N-[(1S)-1-benzyl-2-(4-hydroxy-1-…
| 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) | 1.76 | 5.85 | -15.05 | 3 | 6 | 0 | 85 | 391.471 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP51A-1-E | Cytochrome P450 51 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 910 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP51A_HUMAN | Q16850 | Cytochrome P450 51, Human | 910 | 0.29 | Binding ≤ 1μM |
| CP51A_HUMAN | Q16850 | Cytochrome P450 51, Human | 910 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| Endogenous sterols |
