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Compound Detail

CHEMBL1425137

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CC(C)(C)C(=O)C(Cl)C(=O)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL1425137
Phase Preclinical
Structure Type MOL
InChI Key XJFGZQMRELIYGR-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

253.7
MW (Da)
2.85
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16ClNO2
MW 253.73
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.75

Activity Summary

EC50 2 meas. best 6.24
IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
General amino acid permease AGP1
CHEMBL1741178
EC50 6.24 6.24 570.0 1
G-protein coupled receptor 55
CHEMBL1075322
IC50 6.16 6.16 696.1 1
Large ribosomal subunit protein eL19A
CHEMBL1741172
EC50 4.95 4.95 11200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine