OSILODROSTAT

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Synonyms
Status
Molecule Category Free-form
ATC H02CA02
UNII 5YL4IQ1078
EPA CompTox DTXSID40156570

Structure

InChI Key USUZGMWDZDXMDG-CYBMUJFWSA-N
Smiles N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1
InChI
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10FN3
Molecular Weight 227.24
AlogP 2.43
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 41.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 11 Cytochrome P450 family 11B Cytochrome P450 11B1
- 2.5-495 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 11 Cytochrome P450 family 11B Cytochrome P450 11B2
- 0.2-210 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 856 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.2-856 - - 8-75
Macaca fascicularis
- 19.95-39.81 - - -
Mus musculus
- 210 - - -
Rattus norvegicus
- 111-495 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3099695
DrugBank DB11837
DrugCentral 5384
FDA SRS 5YL4IQ1078
Guide to Pharmacology 8310
PDB YSY
PubChem 44139752
SureChEMBL SCHEMBL12460772
ZINC ZINC000072318114
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