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Compound Detail

CHEMBL107418

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CCN(CC)CCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C

Basic Information

ChEMBL ID CHEMBL107418
Phase Preclinical
Structure Type MOL
InChI Key ABAWTOZNWVBCHD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
4.66
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24Cl2N4O
MW 419.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.06

Activity Summary

IC50 2 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 4.89 4.89 13000.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.48 4.48 33000.0 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