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Compound Detail

CHEMBL106295

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Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)cc21

Basic Information

ChEMBL ID CHEMBL106295
Phase Preclinical
Structure Type MOL
InChI Key CYFCBAYGOYPBEA-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
4.04
ALogP
6
HBA
1
HBD
59.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl2N4O2
MW 447.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.18

Activity Summary

IC50 3 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.7 6.7 200.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.24 6.24 570.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.24 5.24 5800.0 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