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Compound Detail

CHEMBL2003587

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C/C(=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2003587
Phase Preclinical
Structure Type MOL
InChI Key XTLZLSQUNGZDGM-RGVLZGJSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
2.52
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN4O2
MW 330.78
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.13

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5007
 IC50 5.82 5.82 1510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 1510.0 nM 5.82 PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... -

Data from ChEMBL 36 via Core Engine