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Compound Detail

CHEMBL46362

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O=C(O)c1cc(=O)c2ccc(OCc3ccc4ccccc4n3)cc2o1

Basic Information

ChEMBL ID CHEMBL46362
Phase Preclinical
Structure Type MOL
InChI Key OEWOGUZQPCEFMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
3.62
ALogP
5
HBA
1
HBD
89.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13NO5
MW 347.33
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.36

Activity Summary

Ki 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor 1
CHEMBL5645
Ki 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor 1 Ki = 7000.0 nM 5.16 Binding affinity against LTD4 receptor in guinea pig lung membranes. 1851845

Literature References

PubMed DOI Target Context # Activities
1851845 10.1021/jm00109a025 Cysteinyl leukotriene receptor 1 1

Data from ChEMBL 36 via Core Engine