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Compound Detail

CHEMBL218160

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Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc4cccnc34)nnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218160
Phase Preclinical
Structure Type MOL
InChI Key LFMFJLGPMLEFQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
5.91
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.41
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 C25H21N5
MW 391.48
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.97

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