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Compound Detail

CHEMBL107423

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CCN(CC)CCCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C

Basic Information

ChEMBL ID CHEMBL107423
Phase Preclinical
Structure Type MOL
InChI Key YRRHAVKHTFWTLV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
5.83
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30Cl2N4O
MW 461.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.94

Activity Summary

IC50 3 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 7.62 7.62 24.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.1 7.1 80.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.13 6.13 740.0 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