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Compound Detail

CHEMBL57207

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CC(C)NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl

Basic Information

ChEMBL ID CHEMBL57207
Phase Preclinical
Structure Type MOL
InChI Key MEGWJRRCEUYDCB-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

531.5
MW (Da)
4.58
ALogP
7
HBA
3
HBD
98.3
PSA (Ų)
0.37
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 C25H32Cl2N8O
MW 531.49
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.41

Activity Summary

IC50 3 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 7.72 7.72 19.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.47 7.47 34.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11384237 10.1021/jm0004291 Platelet-derived growth factor receptor beta 1
11384237 10.1021/jm0004291 Fibroblast growth factor receptor 1 1
11384237 10.1021/jm0004291 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine