Structure

InChI Key WBGKWQHBNHJJPZ-LECWWXJVSA-N
Smile CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI
InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32O6
Molecular Weight 416.51
AlogP 2.33
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 93.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatitis, Atopic 4 D003876 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Side Effects from Label

Side effects Relative Frequency (%) Labels
Infections and infestations Infection 20.4
Infections and infestations Infestation 20.4
Infections and infestations Infection 19.6
Infections and infestations Infestation 19.6
Infections and infestations Upper respiratory tract infection 9.56
General disorders and administration site conditions Application site burn 7.73
General disorders and administration site conditions Application site pain 7.73
Respiratory, thoracic and mediastinal disorders Mediastinal disorder 6.98
Infections and infestations Upper respiratory tract infection 6.19
Respiratory, thoracic and mediastinal disorders Cough 3.62
Respiratory, thoracic and mediastinal disorders Mediastinal disorder 3.61
General disorders and administration site conditions Application site reaction 3.09
General disorders and administration site conditions Atrophy 3.09
Skin and subcutaneous tissue disorders Skin disorder 3.09
Skin and subcutaneous tissue disorders Skin striae 3.09
Skin and subcutaneous tissue disorders Telangiectasia 3.09
General disorders and administration site conditions Application site burn 2.84
General disorders and administration site conditions Application site pain 2.84
Skin and subcutaneous tissue disorders Skin disorder 2.58
Endocrine disorders Hyperglycaemia 2.0
Nervous system disorders Headache 1.81
Nervous system disorders Nervous system disorder 1.81
Investigations Blood pressure increased 1.55
Respiratory, thoracic and mediastinal disorders Cough 1.55
Infections and infestations Viral infection 1.55
General disorders and administration site conditions Application site atrophy 1.29
Immune system disorders Dermatitis contact 1.03
General disorders and administration site conditions Application site reaction 0.775
Immune system disorders Asthma 0.775
General disorders and administration site conditions Atrophy 0.775
Immune system disorders Dermatitis contact 0.775
Psychiatric disorders Mental disorder 0.775
Skin and subcutaneous tissue disorders Skin striae 0.775
Skin and subcutaneous tissue disorders Telangiectasia 0.775
General disorders and administration site conditions Application site rash 0.517
General disorders and administration site conditions Irritability 0.517
Gastrointestinal disorders Pharyngitis 0.517
Infections and infestations Pharyngitis streptococcal 0.517
General disorders and administration site conditions Application site rash 0.515
Investigations Blood pressure increased 0.515
Nervous system disorders Headache 0.515
Nervous system disorders Nervous system disorder 0.515
Infections and infestations Pharyngitis streptococcal 0.515

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
26.22
General disorders and administration site conditions
25.44
Injury, poisoning and procedural complications
23.68
Product issues
4.7
Immune system disorders
3.52
Nervous system disorders
2.94

Cross References

Resources Reference
CAS NUMBER 638-94-8
ChEBI 204734
ChEMBL CHEMBL1201109
DrugBank DB01260
DrugCentral 3135
EPA CompTox DTXSID7046756
FDA SRS J280872D1O
Human Metabolome Database HMDB0015389
Guide to Pharmacology 7066
PharmGKB PA164776996
PubChem 5311066
SureChEMBL SCHEMBL3631
ZINC ZINC000004212851