desonide   

GtoPdb Ligand ID: 7066

Synonyms: D-2083 | Desowen®
desonide is an approved drug (FDA (1972))
Comment: Desonide is a corticosteroid.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 93.06
Molecular weight 416.22
XLogP 1.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)(C)C
Isomeric SMILES OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)(C)C
InChI InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChI Key WBGKWQHBNHJJPZ-LECWWXJVSA-N
Bioactivity Comments
We have been unable to find publicly available affinity data for this drug to substantiate its MMOA, so have not tagged a primary drug target in this case.