difamilast   Click here for help

GtoPdb Ligand ID: 9776

Synonyms: example 352 [WO2007058338] | MM36 | Moizerto® | OPA-15406
Approved drug Immunopharmacology Ligand
difamilast is an approved drug (Japan (2021))
Compound class: Synthetic organic
Comment: Difamilast (OPA-15406) is a topical, selective, nonsteroidal PDE4 inhibitor that is being developed for the treatment of atopic dermatitis [1-3]. The chemical structure is claimed as example 352 in patent WO2007058338 [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 82.82
Molecular weight 446.17
XLogP 4.74
No. Lipinski's rules broken 0
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Canonical SMILES CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F
Isomeric SMILES CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F
InChI InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (2021))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10717 difamilast
Synonyms Click here for help
example 352 [WO2007058338] | MM36 | Moizerto® | OPA-15406
Database Links Click here for help
CAS Registry No. 937782-05-3 (source: WHO INN record)
GtoPdb PubChem SID 354702249
PubChem CID 57855696
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UniChem Compound Search for chemical match using the InChIKey VFBILHPIHUPBPZ-UHFFFAOYSA-N
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