HYDROCORTISONE


ID: CHEMBL389621
Name: HYDROCORTISONE
Max Phase:
Approved Learn more
First Approval: 1952
Molecular Formula: C21H30O5
Molecular Weight: 362.47
Molecule Type: Small molecule
Synonyms and Trade Names:
Cor-Oticin Cortifoam CORTISOL FLEXICORT HIDROCORTISONA
Molfile:

Canonical SMILES:
Standard InChI:
Standard InChI Key:
Alternative forms of compound CHEMBL389621
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Parent:

HYDROCORTISONE
Showing 1-5 out of 88 records
#MESH IDMESH HeadingEFO IDsEFO TermsMax Phase for IndicationReferences
1.
Herpes Labialis
Herpes Labialis
4
FromClinicalTrialsDailyMed
2.
Lymphoma
lymphoma
4
FromClinicalTrialsDailyMed
3.
Nasal Obstruction
Nasal congestion
4
4.
Pneumonia
pneumonia
4
5.
Colitis, Ulcerative
ulcerative colitis
4
Showing 1-5 out of 88 records
Showing 1-1 out of 1 records
#Mechanism of ActionAction TypeTarget ChEMBL IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences
1.
Glucocorticoid receptor agonist
AGONIST
Glucocorticoid receptor
SINGLE PROTEIN
Homo sapiens
---
Showing 1-1 out of 1 records
Compounds similar to CHEMBL389621
Compounds with at least 85% similarity.



Similarity: 100.00
1

Similarity: 100.00
2

Similarity: 100.00
3

Similarity: 100.00
4
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Bioactivity Summary
Tissue S... IC50 Ki Activity AC50 Inhibition permeabi... Other
Total
1499
Tissue Severity Score
IC50
Ki
Activity
AC50
Inhibition
permeability
GI50
Potency
Peff
ED50
ID50
LogD
RBA
Relative amount
ALB
ALP
ALT
AST
BASO
Other
Assay Summary
F - Func... B - Binding A - ADME
Total
918
F - Functional
B - Binding
A - ADME
P - Physicochemical
T - Toxicity
Target Summary
N/A Membrane... Enzyme Transcri... Transporter
Total
276
N/A
Membrane receptor
Enzyme
Transcription factor
Transporter
Ion channel
Unclassified protein
Epigenetic regulator
Secreted protein
Other cytosolic protein
Histogram Settings


2.83 5.67 8.5 11.33 14.17 17 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 34... Year→
|
Total
240
Journal:
J Med Chem
Eur J Med Chem
Bioorg Med Chem Lett
J Nat Prod
Bioorg Med Chem
N/A
Drug Metab Dispos
Medchemcomm
ACS Med Chem Lett
Pharm Res
Mol Pharmacol
Nat Chem Biol
J Biol Chem
Am J Physiol
Biochem J
J Pharmacol Exp Ther
Annu Rev Pharmacol Toxicol
Endocrinology
J Neuroendocrinol
Gastroenterol Clin Biol
Antimicrob Agents Chemother
Chem Res Toxicol
J Agric Food Chem
PLoS Comput Biol
Drug Discov Today
RSC Med Chem
Nat Commun
iScience

The table below displays ChEMBL targets which are predicted to interact with HYDROCORTISONE (CHEMBL389621). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not HYDROCORTISONE (CHEMBL389621) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveinactive6
CHEMBL2725Beta-lactamaseinactiveinactiveboth6
CHEMBL5062Coagulation factor Xemptyemptyactive6.5
CHEMBL1947Thyroid hormone receptor beta-1emptyemptyinactive7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7emptyemptyinactive6
Molecular Weight:
362.47
Molecular Weight (Monoisotopic):
362.2093
AlogP:
1.78
#Rotatable Bonds:
2
Polar Surface Area:
94.83
Molecular Species:
NEUTRAL
HBA:
5
HBD:
3
#RO5 Violations:
0
HBA (Lipinski):
5
HBD (Lipinski):
3
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
12.59
CX Basic pKa:
--
CX LogP:
1.28
CX LogD:
1.28
Aromatic Rings:
0
Heavy Atoms:
26
QED Weighted:
0.70
Np Likeness Score:
2.41
Alert SetPriorityAlerts
MLSMR3
Alert ID: 81558852 Alert Name: Ketone
1
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UniChem Connectivity Layer Cross References for CHEMBL389621

Columns Legend:

  • S: stereochemical difference.
  • I: isotopic difference.
  • P: protonation differences identified.


ChEMBL
PDBe (Protein Data Bank Europe)
ZINC
SureChEMBL
PubChem ('Thomson Pharma' subset)
MatchIdentical ComponentSIP
CHEMBL3237442
24V
ZINC000087493449
SCHEMBL1976824
84985131
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