HYDROCORTISONE VALERATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 68717P8FUZ
Parent Compound: HYDROCORTISONE

Structure
InChI Key FZCHYNWYXKICIO-FZNHGJLXSA-N
Smile CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H38O6
Molecular Weight 446.58
AlogP 3.52
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 5.809
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.1-55.9

Related Entries

Scaffolds

Parent

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
19.01
Skin and subcutaneous tissue disorders
15.1
Injury, poisoning and procedural complications
12.24
Infections and infestations
8.33
Nervous system disorders
5.73
Immune system disorders
5.47
Metabolism and nutrition disorders
4.95
Gastrointestinal disorders
4.43
Respiratory, thoracic and mediastinal disorders
3.91
Vascular disorders
3.39
Endocrine disorders
2.86
Musculoskeletal and connective tissue disorders
2.34

Cross References

Resources Reference
CAS NUMBER 57524-89-7
ChEBI 50865
ChEMBL CHEMBL1200562
DrugBank DB14544
DrugCentral 4504
EPA CompTox DTXSID9045633
FDA SRS 68717P8FUZ
PubChem 5282494
SureChEMBL SCHEMBL80603
ZINC ZINC000004213520
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