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Compound Detail

CHEMBL1534358

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Nc1ccc(Br)cc1-c1nc2ccccc2nc1O

Basic Information

ChEMBL ID CHEMBL1534358
Phase Preclinical
Structure Type MOL
InChI Key ZLSNNRUTNMLOKS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.2
MW (Da)
3.35
ALogP
4
HBA
2
HBD
72.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10BrN3O
MW 316.16
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5007
IC50 6.11 6.11 771.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 771.0 nM 6.11 PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... -

Data from ChEMBL 36 via Core Engine