HYDROCORTISONE BUTYRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
ATC: D07AB02
UNII: 05RMF7YPWN
Parent Compound: HYDROCORTISONE

Structure
InChI Key BMCQMVFGOVHVNG-TUFAYURCSA-N
Smile CCCC(=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/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36O6
Molecular Weight 432.56
AlogP 3.13
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 1 D011565 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
12.94
Skin and subcutaneous tissue disorders
9.95
Nervous system disorders
8.61
Metabolism and nutrition disorders
8.3
Vascular disorders
7.72
Injury, poisoning and procedural complications
6.34
Infections and infestations
6.11
Endocrine disorders
5.8
Gastrointestinal disorders
5.27
Blood and lymphatic system disorders
4.55
Immune system disorders
4.55
Psychiatric disorders
3.35
Hepatobiliary disorders
2.77
Investigations
2.63
Respiratory, thoracic and mediastinal disorders
2.45

Cross References

Resources Reference
CAS NUMBER 13609-67-1
ChEBI 31674
ChEMBL CHEMBL1683
DrugBank DB14540
DrugCentral 3959
EPA CompTox DTXSID4045896
FDA SRS 05RMF7YPWN
PubChem 26133
SureChEMBL SCHEMBL4695
ZINC ZINC000003977794
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