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Compound Detail

CHEMBL106953

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Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCn3ccnc3)cc21

Basic Information

ChEMBL ID CHEMBL106953
Phase Preclinical
Structure Type MOL
InChI Key BSMKGOSXJLCJOB-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
4.61
ALogP
6
HBA
1
HBD
64.7
PSA (Ų)
0.46
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 C21H19Cl2N5O
MW 428.32
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.19

Activity Summary

IC50 3 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.68 6.68 210.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.27 6.27 540.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.5 5.5 3200.0 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