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Compound Detail

CHEMBL1573186

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O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL1573186
Phase Preclinical
Structure Type MOL
InChI Key YJUKWTYRJQOSHV-VAWYXSNFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.47
ALogP
3
HBA
2
HBD
70.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O2
MW 329.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5007
IC50 5.7 5.7 1990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 1990.0 nM 5.7 PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... -

Data from ChEMBL 36 via Core Engine