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Compound Detail

CHEMBL135061

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Nc1cc2nc(N)c(-c3ccccc3)cc2cn1

Basic Information

ChEMBL ID CHEMBL135061
Phase Preclinical
Structure Type MOL
InChI Key IEGFEVXCKUNXSR-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
2.46
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.68
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 C14H12N4
MW 236.28
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.17

Activity Summary

IC50 3 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 4.77 4.77 17000.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 4.77 4.77 17000.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11063616 10.1021/jm000161d Fibroblast growth factor receptor 1 1
11063616 10.1021/jm000161d Platelet-derived growth factor receptor beta 1
11063616 10.1021/jm000161d Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine