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Compound Detail

CHEMBL326041

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Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3ccccn3)nc21

Basic Information

ChEMBL ID CHEMBL326041
Phase Preclinical
Structure Type MOL
InChI Key UVQZXQCNEXGALO-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

412.3
MW (Da)
4.31
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.54
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 C20H15Cl2N5O
MW 412.28
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

IC50 3 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 6.09 6.09 810.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.49 5.49 3210.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.32 5.32 4800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27038496 10.1016/j.bmcl.2016.03.077 Gamma-secretase 2
9703473 10.1021/jm9802259 Platelet-derived growth factor receptor beta 1
9703473 10.1021/jm9802259 Fibroblast growth factor receptor 1 1
9703473 10.1021/jm9802259 Proto-oncogene tyrosine-protein kinase Src 1
9703473 10.1021/jm9802259 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine