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Compound Detail

CHEMBL2426370

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CCN1Cc2ccc(NC(=O)c3cccc(Br)c3)cc2C1

Basic Information

ChEMBL ID CHEMBL2426370
Phase Preclinical
Structure Type MOL
InChI Key VWTIJRFQYZAZLL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
4.04
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.91
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 C17H17BrN2O
MW 345.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal(3)malignant brain tumor-like protein 3
CHEMBL1287623
IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24040942 10.1021/jm400919p Lethal(3)malignant brain tumor-like protein 1 1
24040942 10.1021/jm400919p Lethal(3)malignant brain tumor-like protein 3 1

Data from ChEMBL 36 via Core Engine