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Compound Detail

CHEMBL1463207

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Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1463207
Phase Preclinical
Structure Type MOL
InChI Key JKUYJRTWWHJEFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.3
MW (Da)
2.99
ALogP
8
HBA
1
HBD
87.0
PSA (Ų)
0.52
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 C19H17Cl2N5O3
MW 434.28
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5007
 IC50 6.19 6.19 647.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 647.0 nM 6.19 PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... -

Data from ChEMBL 36 via Core Engine