Structure

InChI Key DLVOSEUFIRPIRM-KAQKJVHQSA-N
Smile C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
InChI
InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H42O6
Molecular Weight 486.65
AlogP 4.3
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 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist DailyMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Addison Disease 2 D000224 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
13.46
Infections and infestations
12.16
Cardiac disorders
11.37
General disorders and administration site conditions
9.8
Vascular disorders
9.67
Blood and lymphatic system disorders
9.28
Gastrointestinal disorders
7.58
Metabolism and nutrition disorders
7.32
Nervous system disorders
4.58
Skin and subcutaneous tissue disorders
3.79
Investigations
2.75

Cross References

Resources Reference
CAS NUMBER 508-99-6
ChEBI 5783
ChEMBL CHEMBL1549
DrugBank DB14541
DrugCentral 1390
EPA CompTox DTXSID90872930
FDA SRS 4XDY25L70B
KEGG C08176
PubChem 223253
SureChEMBL SCHEMBL41673
ZINC ZINC000004097470