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Compound Detail

CHEMBL34177

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O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5c4)c3)oc12

Basic Information

ChEMBL ID CHEMBL34177
Phase Preclinical
Structure Type MOL
InChI Key MDIKUXJIYAVQRI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.3
MW (Da)
6.65
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.29
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 C27H17BrO5
MW 501.33
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.08

Activity Summary

Kd 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor 1
CHEMBL5645
Kd 5.95 5.95 1130.0 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