Structure

InChI Key ALEXXDVDDISNDU-JZYPGELDSA-N
Smile CC(=O)OCC(=O)[C@@]1(O)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/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32O6
Molecular Weight 404.5
AlogP 2.35
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist ISBN DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatitis, Atopic 2 D003876 ClinicalTrials
Vitiligo 1 D014820 ClinicalTrials
Depressive Disorder 0 D003866 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.99
Nervous system disorders
11.09
Psychiatric disorders
7.91
Vascular disorders
6.27
Metabolism and nutrition disorders
5.68
Injury, poisoning and procedural complications
5.32
Immune system disorders
4.86
Gastrointestinal disorders
4.82
Investigations
4.68
Infections and infestations
4.27
Musculoskeletal and connective tissue disorders
4.27
Endocrine disorders
4.23
Skin and subcutaneous tissue disorders
4.04
Respiratory, thoracic and mediastinal disorders
3.5
Cardiac disorders
2.95
Blood and lymphatic system disorders
2.04

Cross References

Resources Reference
CAS NUMBER 50-03-3
ChEBI 17609
ChEMBL CHEMBL1091
DrugBank DB14539
DrugCentral 4213
FDA SRS 3X7931PO74
KEGG C02821
PubChem 5744
SureChEMBL SCHEMBL7419
ZINC ZINC000003875333