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Compound Detail

CHEMBL218411

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Nc1nnc2cc(-c3ccccc3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218411
Phase Preclinical
Structure Type MOL
InChI Key PCKQPBQSUNWING-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
2.27
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.69
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 C13H10N4
MW 222.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.77

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