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Compound Detail

CHEMBL1467309

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COc1ccc2nc(SC)c(C#N)cc2c1

Basic Information

ChEMBL ID CHEMBL1467309
Phase Preclinical
Structure Type MOL
InChI Key MPKJCCPRINSWJR-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.84
ALogP
4
HBA
0
HBD
45.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2OS
MW 230.29
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.73

Activity Summary

EC50 3 meas. best 4.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2
CHEMBL2095163
EC50 4.91 4.91 12330.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1
CHEMBL2095162
EC50 4.85 4.85 14130.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3
CHEMBL2095161
EC50 4.38 4.38 41790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine