CORTODOXONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WDT5SLP0HQ

Structure
InChI Key WHBHBVVOGNECLV-OBQKJFGGSA-N
Smile C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O4
Molecular Weight 346.47
AlogP 2.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 0-10
Secreted protein
- - 36 13 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 28324
ChEMBL CHEMBL253144
EPA CompTox DTXSID8045642
FDA SRS WDT5SLP0HQ
Human Metabolome Database HMDB0000015
Guide to Pharmacology 5100
KEGG C05488
PubChem 440707
SureChEMBL SCHEMBL42590
ZINC ZINC000003860956
CONTENTS