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Compound Detail

CHEMBL374248

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Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1

Basic Information

ChEMBL ID CHEMBL374248
Phase Preclinical
Structure Type MOL
InChI Key PLXYCTXKBDOHAI-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
5.36
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4
MW 340.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.88

Activity Summary

IC50 5 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.53 6.4833 294.0 3
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.2 6.2 628.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16931012 10.1016/j.bmcl.2006.08.035 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine