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Compound Detail

CHEMBL3915176

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O=C(O)CCc1c(C(=O)O)[nH]c2cc(-c3ccccc3)cc(-c3ccccc3)c12

Basic Information

ChEMBL ID CHEMBL3915176
Phase Preclinical
Structure Type MOL
InChI Key SSEVUBMCWYXCTC-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
5.22
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19NO4
MW 385.42
Aromatic Rings 4
Heavy Atoms 29

Activity Summary

EC50 3 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Uracil nucleotide/cysteinyl leukotriene receptor
CHEMBL1075162
EC50 5.52 5.4767 3019.9 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30048589 10.1021/acs.jmedchem.7b01768 Uracil nucleotide/cysteinyl leukotriene receptor 2

Data from ChEMBL 36 via Core Engine