Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1601448

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(Cl)cc1Cl)c1ccco1

Basic Information

ChEMBL ID CHEMBL1601448
Phase Preclinical
Structure Type MOL
InChI Key AJHCXYJZHMTSGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
4.34
ALogP
5
HBA
1
HBD
80.0
PSA (Ų)
0.73
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 C20H17Cl2NO5
MW 422.26
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 4.86 4.86 13708.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine