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Compound Detail

CHEMBL353667

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CCc1c(COc2ccc(-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O

Basic Information

ChEMBL ID CHEMBL353667
Phase Preclinical
Structure Type MOL
InChI Key QADPCENSPWQNNH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.92
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O3
MW 338.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
IC50 7.9 7.9 12.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor IC50 = 12.59 nM 7.9 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