General
Preferred name
cortisone
Synonyms
Kendall's compound E ()
17-Hydroxy-11-dehydrocorticosterone ()
NSC-9703 ()
Cortisone ()
P&D ID
PD002781
CAS
53-06-5
Tags
prodrug
natural product
drug
available
Drug indication
Atopic dermatitis
Drug Status
experimental
investigational
approved
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Anti-inflammatory; corticosterone analog (LOPAC library)
Compound Sets
17
Cayman Chemical Bioactives
30763
ChEMBL Drugs
CHEMBL1499
Drug Repurposing Hub
DrugBank
DB14681
DrugMAP
DMU5QZX
DrugMAP Approved Drugs
DMU5QZX
Guide to Pharmacology
5171
LOPAC library
MedChem Express Bioactive Compound Library
HY-17461
NCATS Inxight Approved Drugs
V27W9254FZ
NIH Clinical Collections (NCC)
NPC Screening Collection
NURSA ligand set
nursa/index.jsf?doi=10.1621%2FRBGS68XW3E
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
cortisone
TargetMol Bioactive Compound Library
T2884
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
360.19
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
0
cLogP
1.99
TPSA
91.67
Fraction CSP3
0.76
Chiral centers
6.0
Largest ring
6.0
QED
0.79
Structural alerts
1
steroid_A(2)
[#8]=[#6]-4-[#6]-[#6]-[#6]-3-[#6]-2-[#6](=[#8])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1-[#6]-2-[#6]-[#6]-[#6]-3=[#6]-4
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Corticosteroid
Pathway
Metabolism
Immunology/Inflammation
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
Glucocorticoid Receptor
NR3C1
Endogenous Metabolite
Immunology & Inflammation related
Disease Area
gastroenterology, rheumatology, dermatology
Indication
ulcerative colitis, rheumatoid arthritis, psoriasis, joint inflammation, eczema
MOA
Glucocorticoid Receptor agonist
Source data