Trade Names | |
Synonyms | |
Status | |
Molecule Category | UNKNOWN |
ATC | G01AG02 |
UNII | 0KJ2VE664U |
EPA CompTox | DTXSID2045498 |
InChI Key | BLSQLHNBWJLIBQ-OZXSUGGESA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C26H31Cl2N5O3 | |
Molecular Weight | 532.47 | |
AlogP | 4.46 | |
Hydrogen Bond Acceptor | 8.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 8.0 | |
Polar Surface Area | 64.88 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 36.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 51
Cytochrome P450 family 51A
Cytochrome P450 51A1
|
- | 3000 | - | - | - | ||
Enzyme
Oxidoreductase
|
- | 410 | - | - | - | ||
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
8900-14100 | - | - | - | - |
Resources | Reference | |
---|---|---|
ChEBI | 82980 | |
ChEMBL | CHEMBL1306 | |
DrugBank | DB00251 | |
FDA SRS | 0KJ2VE664U | |
Human Metabolome Database | HMDB0014396 | |
KEGG | C08080 | |
PharmGKB | PA164768834 | |
PubChem | 480953 | |
SureChEMBL | SCHEMBL23165 | |
ZINC | ZINC000003873936 |