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Compound Detail

CHEMBL3921330

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O=C(O)CCc1c(C(=O)O)n(CCC(=O)O)c2cc(Cl)cc(Cl)c12

Basic Information

ChEMBL ID CHEMBL3921330
Phase Preclinical
Structure Type MOL
InChI Key YMVOSFQQMGHRKY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.2
MW (Da)
3.14
ALogP
4
HBA
3
HBD
116.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13Cl2NO6
MW 374.18
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.57

Activity Summary

EC50 3 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Uracil nucleotide/cysteinyl leukotriene receptor
CHEMBL1075162
EC50 6.73 5.7567 186.2 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