Structure

InChI Key PIDANAQULIKBQS-RNUIGHNZSA-N
Smile C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChI
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O5
Molecular Weight 372.46
AlogP 2.01
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 91.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist ISBN Expert PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 2 D008545 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1247-42-3
ChEBI 135573
ChEMBL CHEMBL1201148
DrugBank DB09383
DrugCentral 1702
EPA CompTox DTXSID8023260
FDA SRS 67U96J8P35
PubChem 5284587
SureChEMBL SCHEMBL9512
ZINC ZINC000004216862