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Compound Detail

CHEMBL3132880

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O=C(O)CCc1c(C(=O)O)[nH]c2cc(Br)cc(Br)c12

Basic Information

ChEMBL ID CHEMBL3132880
Phase Preclinical
Structure Type MOL
InChI Key MWJLWZFCKKCOPR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.0
MW (Da)
3.41
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.75
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 C12H9Br2NO4
MW 391.02
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.12

Activity Summary

EC50 3 meas. best 7.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Uracil nucleotide/cysteinyl leukotriene receptor
CHEMBL1075162
EC50 7.87 7.0933 13.5 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00309D Uracil nucleotide/cysteinyl leukotriene receptor 1

Data from ChEMBL 36 via Core Engine