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Compound Detail

CHEMBL11521

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O=C(O)c1cc(Br)cc2c(=O)cc(-c3ccc4ccccc4n3)oc12

Basic Information

ChEMBL ID CHEMBL11521
Phase Preclinical
Structure Type MOL
InChI Key BUGOZJCZAQTPAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.2
MW (Da)
4.47
ALogP
4
HBA
1
HBD
80.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H10BrNO4
MW 396.20
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.21

Activity Summary

Kd 1 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Kd 4.83 4.83 14800.0 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