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Compound Detail

CHEMBL1470378

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COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)on4)C3c3cccs3)oc12

Basic Information

ChEMBL ID CHEMBL1470378
Phase Preclinical
Structure Type MOL
InChI Key USMNGQVYTXEUAQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
4.58
ALogP
8
HBA
1
HBD
106.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N2O6S
MW 436.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 5.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.76 5.76 1734.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine