In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 30 | Yes |
Popular Name: N-[(1S)-1-benzyl-2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]-5-chloro-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) | 2.41 | 6.37 | -11.88 | 3 | 6 | 0 | 85 | 425.916 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CP51A-1-E | Cytochrome P450 51 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.26 | Binding ≤ 10μM |
PYGL-1-E | Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 260 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PYGL_HUMAN | P06737 | Liver Glycogen Phosphorylase, Human | 260 | 0.31 | Binding ≤ 1μM |
CP51A_HUMAN | Q16850 | Cytochrome P450 51, Human | 3100 | 0.26 | Binding ≤ 10μM |
PYGL_HUMAN | P06737 | Liver Glycogen Phosphorylase, Human | 260 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of gene expression by SREBF (SREBP) | |
Cholesterol biosynthesis | |
Endogenous sterols | |
Glycogen breakdown (glycogenolysis) |