Details of the Drug

General Information of Drug (ID: DMZQJVN)

Drug Name	R-85355
Synonyms	SCHEMBL10277001
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	427.9
	Logarithm of the Partition Coefficient (xlogp)	3.1
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C21H22ClN5O3 IUPAC Name 2-[2-(4-chlorophenyl)-2-oxoethyl]-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-5-methyl-1,2,4-triazol-3-one Canonical SMILES CC1=NN(C(=O)N1N2CCN(CC2)C3=CC=C(C=C3)O)CC(=O)C4=CC=C(C=C4)Cl InChI InChI=1S/C21H22ClN5O3/c1-15-23-26(14-20(29)16-2-4-17(22)5-3-16)21(30)27(15)25-12-10-24(11-13-25)18-6-8-19(28)9-7-18/h2-9,28H,10-14H2,1H3 InChIKey VZSLWTZQSOCFIA-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 56603786 TTD ID D0S5DY

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	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	7.42E-01	-0.18	-0.25
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	1.25E-03	0.43	0.63

Molecular Expression Atlas (MEA)

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References

1	Topical R-85355, a potent and selective 5-lipoxygenase inhibitor, fails to improve psoriasis. Skin Pharmacol. 1996;9(5):307-11.