CORTISONE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: H02AB10
UNII: V27W9254FZ

Structure
InChI Key LPYXTAPPNYMYOP-XDBTXSBWSA-N
Smile C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,13-15,18,22-23,26H,3-8,10-11H2,1-2H3/t13-,14+,15+,18-,19+,20+,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O5
Molecular Weight 362.47
AlogP 1.78
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 13.2
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -23.98--3.15
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
33000-46000 - - - -
Secreted protein
- - 371.54 128.82 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 2378 - 1081 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 69.54
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 21400 - - 10
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 108100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Low Back Pain 3 D017116 ClinicalTrials
Osteoarthritis 2 D010003 ClinicalTrials
Osteoarthritis, Knee 1 D020370 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 53-06-5
ChEMBL CHEMBL111861
FDA SRS V27W9254FZ
Guide to Pharmacology 5171
PubChem 222786
ZINC ZINC000026992018
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