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Compound Detail

CHEMBL376860

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COc1ccccc1Nc1nnc2cc(-c3c(C)cccc3C)cc(C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376860
Phase Preclinical
Structure Type MOL
InChI Key KDWPMSHIURZDIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
5.37
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O
MW 370.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.83

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