Structure

InChI Key SXYZQZLHAIHKKY-GSTUPEFVSA-N
Smile C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C
InChI
InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H36ClFO5
Molecular Weight 495.03
AlogP 4.6
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 80.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist Wikipedia FDA

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
22.39
General disorders and administration site conditions
19.4
Product issues
10.45
Injury, poisoning and procedural complications
7.46
Vascular disorders
5.97
Endocrine disorders
4.48
Immune system disorders
4.48
Nervous system disorders
4.48
Psychiatric disorders
4.48
Eye disorders
2.99
Gastrointestinal disorders
2.99
Investigations
2.99
Metabolism and nutrition disorders
2.99

Cross References

Resources Reference
ChEBI 59583
ChEMBL CHEMBL1200975
DrugCentral 4606
EPA CompTox DTXSID0045460
FDA SRS QBL8IZH14X
PharmGKB PA164744013
PubChem 5282493
SureChEMBL SCHEMBL5120
ZINC ZINC000004212603