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Compound Detail

CHEMBL420477

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CCN(CC)CCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C

Basic Information

ChEMBL ID CHEMBL420477
Phase Preclinical
Structure Type MOL
InChI Key DHTNVMBSGAPRGN-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
5.05
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26Cl2N4O
MW 433.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.06

Activity Summary

IC50 3 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.82 6.82 150.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.52 6.52 300.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.34 5.34 4600.0 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