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Compound Detail

CHEMBL295268

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COc1cc(C(=O)O)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12

Basic Information

ChEMBL ID CHEMBL295268
Phase Preclinical
Structure Type MOL
InChI Key UJNYNVXGEOYVOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
4.36
ALogP
6
HBA
2
HBD
102.7
PSA (Ų)
0.61
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 C23H25N3O5
MW 423.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor 1
CHEMBL5645
Ki 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor 1 Ki = 160.0 nM 6.8 Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes 2342072

Literature References

PubMed DOI Target Context # Activities
2342072 10.1021/jm00168a037 Cysteinyl leukotriene receptor 1 1

Data from ChEMBL 36 via Core Engine