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Compound Detail

CHEMBL1983634

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Cn1cc(Nc2ncc(Br)c(Nc3ccccc3Cl)n2)cn1

Basic Information

ChEMBL ID CHEMBL1983634
Phase Preclinical
Structure Type MOL
InChI Key LSSNCWGAWKTCBU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.6
MW (Da)
4.11
ALogP
6
HBA
2
HBD
67.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12BrClN6
MW 379.65
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.25

Activity Summary

Ki 2 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ALK tyrosine kinase receptor
CHEMBL4247
Ki 7.2 7.2 63.1 1
Cyclin-dependent kinase 19
CHEMBL6002
Ki 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine