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Compound Detail

CHEMBL1497797

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CNc1ccccc1C(C)(C)c1cc(-c2cccc(Br)c2)no1

Basic Information

ChEMBL ID CHEMBL1497797
Phase Preclinical
Structure Type MOL
InChI Key QXOKSTGXTNUTRX-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
5.47
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrN2O
MW 371.28
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.15

Activity Summary

EC50 1 meas. best 5.55
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 2020.0 1
Unchecked
CHEMBL612545
EC50 5.55 5.55 2820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine