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Compound Detail

CHEMBL221739

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CC(=O)Nc1nnc2cc(-c3c(C)cccc3C)cc(C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221739
Phase Preclinical
Structure Type MOL
InChI Key KVHBEIUIQQKMED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.58
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O
MW 306.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.79

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