Details of the Drug

General Information of Drug (ID: DMFVNSB)

Drug Name

WY-50295-tromethamine

Synonyms

WY-50295T; Wy-49232

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

478.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C27H30N2O6
IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol;(2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
Canonical SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O.C(C(CO)(CO)N)O
InChI: InChI=1S/C23H19NO3.C4H11NO3/c1-15(23(25)26)17-6-7-19-13-21(11-9-18(19)12-17)27-14-20-10-8-16-4-2-3-5-22(16)24-20;5-4(1-6,2-7)3-8/h2-13,15H,14H2,1H3,(H,25,26);6-8H,1-3,5H2/t15-;/m0./s1
InChIKey: FKKBZYRUPFNJJC-RSAXXLAASA-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	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Asthma

ICD Disease Classification

CA23

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	WY-50295 tromethamine: a 5-lipoxygenase inhibitor without activity in human whole blood. Prostaglandins Leukot Essent Fatty Acids. 1999 Jan;60(1):31-41.