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Compound Detail

CHEMBL1983106

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COc1ccccc1Nc1nc(Nc2cnn(C)c2)ncc1Br

Basic Information

ChEMBL ID CHEMBL1983106
Phase Preclinical
Structure Type MOL
InChI Key FSMBXUVDJRDBGE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
3.47
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.71
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 C15H15BrN6O
MW 375.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.84

Activity Summary

Ki 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ALK tyrosine kinase receptor
CHEMBL4247
Ki 6.0 6.0 1000.0 1
Cyclin-dependent kinase 19
CHEMBL6002
Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine