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Compound Detail

CHEMBL5558798

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O=C(NC(Cc1ccccc1Cl)C(=O)O)c1cccc(OCc2cccnc2)c1

Basic Information

ChEMBL ID CHEMBL5558798
Phase Preclinical
Structure Type MOL
InChI Key NLCSQQHYZXHSGZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
3.74
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19ClN2O4
MW 410.86
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.18

Activity Summary

EC50 2 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 132
CHEMBL3085618
EC50 4.87 4.87 13489.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38917049 10.1021/acs.jmedchem.3c02164 Probable G-protein coupled receptor 132 3
38917049 10.1021/acs.jmedchem.3c02164 Guanine nucleotide-binding protein subunit alpha-11 1

Data from ChEMBL 36 via Core Engine