Structure

InChI Key DJHCCTTVDRAMEH-DUUJBDRPSA-N
Smile CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl
InChI
InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H37ClO7
Molecular Weight 521.05
AlogP 3.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 106.97
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
27.36
Injury, poisoning and procedural complications
24.53
Skin and subcutaneous tissue disorders
21.7
Eye disorders
6.6
Nervous system disorders
6.6
Product issues
3.77
Vascular disorders
2.83

Cross References

Resources Reference
ChEBI 31184
ChEMBL CHEMBL1200989
DrugCentral 4493
EPA CompTox DTXSID6045535
FDA SRS S56PQL4N1V
PharmGKB PA164747650
PubChem 636374
SureChEMBL SCHEMBL6833
ZINC ZINC000004172330