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Compound Detail

CHEMBL355462

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CC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)c(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355462
Phase Preclinical
Structure Type MOL
InChI Key DHFQQOQIICOIRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
2.66
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O3
MW 324.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor IC50 = 100.0 nM 7.0 Inhibition of LTD4-induced contraction in guinea pig ileum 3033245

Literature References

PubMed DOI Target Context # Activities
3033245 10.1021/jm00388a028 Cysteinyl leukotriene receptor 1

Data from ChEMBL 36 via Core Engine