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Compound Detail

CHEMBL107676

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CCN(CC)CCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C

Basic Information

ChEMBL ID CHEMBL107676
Phase Preclinical
Structure Type MOL
InChI Key PMCRAXHPRPRFAQ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
5.44
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28Cl2N4O
MW 447.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.01

Activity Summary

IC50 3 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 7.36 7.36 44.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.1 7.1 80.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10956222 10.1021/jm000148t Proto-oncogene tyrosine-protein kinase Src 1
10956222 10.1021/jm000148t Platelet-derived growth factor receptor beta 1
10956222 10.1021/jm000148t Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine