Details of the Drug

General Information of Drug (ID: DMOUW0A)

Drug Name
KF-66490
Synonyms K-34; PDE 4 inhibitors (dermatitis/rheumatoid arthritis); PDE 4 inhibitors (dermatitis/rheumatoid arthritis), Kyowa Hakko Kirin
Indication
Disease Entry ICD 11 Status REF
Atopic dermatitis EA80 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 374.4
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C18H22N4O5
IUPAC Name
(11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl aziridine-1-carboxylate
Canonical SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N5CC5)OC)N4C)N
InChI
InChI=1S/C18H22N4O5/c1-8-12(19)15(24)11-9(7-27-17(25)21-4-5-21)18(26-3)16-10(20(16)2)6-22(18)13(11)14(8)23/h9-10,16H,4-7,19H2,1-3H3
InChIKey
FZLZUGFFXNJCRD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
281833
TTD ID
D0E5VP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4A (PDE4A) TTZ97H5 PDE4A_HUMAN Inhibitor [1]
Phosphodiesterase 4B (PDE4B) TTVIAT9 PDE4B_HUMAN Inhibitor [1]
Phosphodiesterase 4D (PDE4D) TTSKMI8 PDE4D_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Atopic dermatitis
ICD Disease Classification EA80
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 4A (PDE4A) DTT PDE4A 9.26E-01 -3.01E-03 -0.01
Phosphodiesterase 4B (PDE4B) DTT PDE4B 2.75E-01 -0.13 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Effect of orally administered KF66490, a phosphodiesterase 4 inhibitor, on dermatitis in mouse models. Int Immunopharmacol. 2009 Jan;9(1):55-62.