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Compound Detail

CHEMBL1544403

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COC(=O)c1c(Cl)c2n3ccccc3c(C)c(-c3ccccc3)c-2c1C(=O)OC

Basic Information

ChEMBL ID CHEMBL1544403
Phase Preclinical
Structure Type MOL
InChI Key MNBGRERVWNCCTM-UHFFFAOYSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
5.25
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18ClNO4
MW 407.85
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.39

Activity Summary

EC50 2 meas. best 4.59
IC50 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 7.26 7.26 55.5 1
Photoreceptor-specific nuclear receptor
CHEMBL4374
IC50 6.52 6.52 303.4 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.59 4.59 25756.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.32 4.32 47501.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine