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Compound Detail

CHEMBL12287

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O=C(O)c1ccc(O)c(C(=O)/C=C/c2ccc3ccccc3n2)c1

Basic Information

ChEMBL ID CHEMBL12287
Phase Preclinical
Structure Type MOL
InChI Key OZYLQTQEWLXQHX-CSKARUKUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
3.53
ALogP
4
HBA
2
HBD
87.5
PSA (Ų)
0.57
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 C19H13NO4
MW 319.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.14

Activity Summary

Kd 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Kd 4.96 4.96 11100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9089329 10.1021/jm960628d Cysteinyl leukotriene receptor 1

Data from ChEMBL 36 via Core Engine