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Compound Detail

CHEMBL58628

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Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1N

Basic Information

ChEMBL ID CHEMBL58628
Phase Preclinical
Structure Type MOL
InChI Key LSHICSIXTRDLPS-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.47
ALogP
5
HBA
2
HBD
90.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5
MW 265.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.24

Activity Summary

IC50 3 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 6.37 6.37 430.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.89 4.89 13000.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 4.54 4.54 29000.0 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