Details of the Drug

General Information of Drug (ID: DM5P7TR)

Drug Name

CGS-23885

Synonyms

134822-78-9

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

312.32

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H16N2O4
IUPAC Name: 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
Canonical SMILES: C1C(=CC2=C(O1)C=CC(=C2)OC3=CC=CC=C3)CN(C(=O)N)O
InChI: InChI=1S/C17H16N2O4/c18-17(20)19(21)10-12-8-13-9-15(6-7-16(13)22-11-12)23-14-4-2-1-3-5-14/h1-9,21H,10-11H2,(H2,18,20)
InChIKey: FPOBKZCHKXONBB-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	Modulator	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

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	Inhibition of LTB4 biosynthesis in situ by CGS 23885, a potent 5-lipoxygenase inhibitor, correlates with its pleural fluid concentrations in an exp... Naunyn Schmiedebergs Arch Pharmacol. 1997 Apr;355(4):470-4.