Details of the Drug

General Information of Drug (ID: DMQM3P4)

Drug Name
BW755C
Synonyms
BW755C; 66000-40-6; BW-755C; UNII-6V6JF56BXO; 6V6JF56BXO; CHEMBL274642; 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine; 1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine; 1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-pyrazol-3-amine; 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine; 4,5-DIHYDRO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-AMINE; 1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-amine; BW 755C; EINECS 266-051-8; AC1L2IRR; SCHEMBL2573191; CTK5C3353; DTXSID30216213
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 229.2
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H10F3N3
IUPAC Name
2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
Canonical SMILES
C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
InChIKey
CPXGGWXJNQSFEP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
47795
ChEBI ID
CHEMBL274642
CAS Number
66000-40-6
TTD ID
D0DP8P
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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 Expression Atlas of This Drug

The Studied Disease Inflammation
ICD Disease Classification 1A00-CA43.1
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
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References

1 BW755C, a dual lipoxygenase/cyclooxygenase inhibitor, reduces mural platelet and neutrophil deposition and vasoconstriction after angioplasty injury in pigs. J Pharmacol Exp Ther. 1996 Apr;277(1):17-21.
2 Anti-inflammatory activity of Acanthus ilicifolius. J Ethnopharmacol. 2008 Oct 30;120(1):7-12.