Structure

InChI Key SNHRLVCMMWUAJD-SUYDQAKGSA-N
Smile CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H37FO6
Molecular Weight 476.59
AlogP 3.64
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 34.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatitis, Atopic 3 D003876 ClinicalTrials
Oral Submucous Fibrosis 3 D009914 ClinicalTrials
Psoriasis 1 D011565 ClinicalTrials
Psoriasis 1 D011565 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
11.8
Skin and subcutaneous tissue disorders
9.34
Injury, poisoning and procedural complications
9.14
Immune system disorders
6.81
Pregnancy, puerperium and perinatal conditions
6.49
Musculoskeletal and connective tissue disorders
6.1
Vascular disorders
5.9
Metabolism and nutrition disorders
5.64
Respiratory, thoracic and mediastinal disorders
5.64
Gastrointestinal disorders
5.32
Infections and infestations
4.67
Endocrine disorders
3.7
Nervous system disorders
3.24
Psychiatric disorders
2.46
Hepatobiliary disorders
2.01

Cross References

Resources Reference
ChEBI 31277
ChEMBL CHEMBL1497
DrugCentral 354
EPA CompTox DTXSID7022673
FDA SRS 9IFA5XM7R2
PubChem 16533
SureChEMBL SCHEMBL7270
ZINC ZINC000003882052