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Compound Detail

CHEMBL287559

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O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4nc5ccccc5s4)c3)oc12

Basic Information

ChEMBL ID CHEMBL287559
Phase Preclinical
Structure Type MOL
InChI Key BZNPRZMJMTTYCW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.4
MW (Da)
6.11
ALogP
6
HBA
1
HBD
89.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H14BrNO5S
MW 508.35
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.81

Activity Summary

Kd 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor 1
CHEMBL5645
Kd 7.1 7.1 79.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9554876 10.1021/jm970179x Cysteinyl leukotriene receptor 1 1

Data from ChEMBL 36 via Core Engine