ciclesonide   Click here for help

GtoPdb Ligand ID: 7469

Synonyms: Alvesco® | Omnaris® | RPR-251526
Approved drug Immunopharmacology Ligand
ciclesonide is an approved drug (FDA (2006))
Compound class: Synthetic organic
Comment: Ciclesonide is a prodrug. The active metabolite is desisobutyrylciclesonide (PubChem CID 6918281). It is a clinically used inhalation corticosteroid/glucocorticoid drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 99.13
Molecular weight 540.31
XLogP 4.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1
Isomeric SMILES O=C(C(C)C)OCC(=O)[C@@]12O[C@@H](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)C1CCCCC1
InChI InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1
InChI Key LUKZNWIVRBCLON-GXOBDPJESA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2006))
International Nonproprietary Names Click here for help
INN number INN
6546 ciclesonide
Synonyms Click here for help
Alvesco® | Omnaris® | RPR-251526
Database Links Click here for help
CAS Registry No. 126544-47-6
ChEMBL Ligand CHEMBL2040682
DrugBank Ligand DB01410
DrugCentral Ligand 633
GtoPdb PubChem SID 187051772
PubChem CID 6918155
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Wikipedia Ciclesonide

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Tocris
Ciclesonide
Cat. No. 6357