DEFLAZACORT

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC H02AB13
UNII KR5YZ6AE4B
EPA CompTox DTXSID9020378

Structure

InChI Key FBHSPRKOSMHSIF-GRMWVWQJSA-N
Smiles CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
InChI
InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31NO6
Molecular Weight 441.52
AlogP 2.56
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 102.26
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 29.2-53.3

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580

Cross References

Resources Reference
ChEBI 135720
ChEMBL CHEMBL1201891
DrugBank DB11921
DrugCentral 793
FDA SRS KR5YZ6AE4B
Guide to Pharmacology 9477
PubChem 189821
SureChEMBL SCHEMBL4018
ZINC ZINC000004212809
CONTENTS