CORTISONE

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Synonyms
Status
Molecule Category Free-form
ATC H02AB10 S01BA03
UNII V27W9254FZ

Structure

InChI Key MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Smiles C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H28O5/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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/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(%)
Secreted protein
- - 371.54 128.82 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 69.54-76.37
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 10
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 69.54-76.37
Homo sapiens
- - 371.54 - 10

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Slovakia

Cross References

Resources Reference
ChEMBL CHEMBL111861
FDA SRS V27W9254FZ
Guide to Pharmacology 5171
PubChem 222786
ZINC ZINC000026992018
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