Details of the Drug

General Information of Drug (ID: DM3L51O)

Drug Name
Rilopirox
Synonyms Riloprox; Hoe-351
Indication
Disease Entry ICD 11 Status REF
Fungal infection 1F29-1F2F Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 357.8
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H16ClNO4
IUPAC Name
6-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-4-methylpyridin-2-one
Canonical SMILES
CC1=CC(=O)N(C(=C1)COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C19H16ClNO4/c1-13-10-15(21(23)19(22)11-13)12-24-16-6-8-18(9-7-16)25-17-4-2-14(20)3-5-17/h2-11,23H,12H2,1H3
InChIKey
UDYUIWXQUBNDHC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71778
CAS Number
104153-37-9
TTD ID
D00RJB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Fungal infection
ICD Disease Classification 1F29-1F2F
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006112)
2 Therapy of seborrheic eczema with an antifungal agent with an antiphlogistic effect. Mycoses. 1991;34 Suppl 1:91-3.