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]
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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

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]

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Molecular Interaction Atlas (MIA)

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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)

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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.