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]
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
PubChem CID
10435196
CAS Number
133899-56-6
TTD ID
D0A7JH

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.