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Compound Detail

CHEMBL1484562

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COc1ccc(Br)cc1-c1nc(CCl)cs1.Cl

Basic Information

ChEMBL ID CHEMBL1484562
Phase Preclinical
Structure Type MOL
InChI Key FCBRBGAFRAPDLN-UHFFFAOYSA-N
Parent Compound CHEMBL1622008
Active Moiety CHEMBL1622008
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.6
MW (Da)
4.32
ALogP
3
HBA
0
HBD
22.1
PSA (Ų)
0.79
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 C11H10BrCl2NOS
MW 355.08
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.56

Activity Summary

EC50 2 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 5.26 5.26 5522.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 5.0 5.0 9925.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine