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Compound Detail

CHEMBL1359775

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CC(Nc1ccc(Br)cn1)c1cc(Cl)ccc1O

Basic Information

ChEMBL ID CHEMBL1359775
Phase Preclinical
Structure Type MOL
InChI Key DMNOHUCRAOCAAX-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.6
MW (Da)
4.38
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.88
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 C13H12BrClN2O
MW 327.61
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.27

Activity Summary

EC50 3 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3
CHEMBL2095161
EC50 5.49 5.49 3261.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 5.33 5.33 4727.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 5.2 5.2 6301.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine