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Compound Detail

CHEMBL3774643

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COc1cc2ncnc(Nc3cccc(O)c3C#N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774643
Phase Preclinical
Structure Type MOL
InChI Key YNQRKLQQCHFLGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
2.97
ALogP
7
HBA
2
HBD
100.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4O3
MW 322.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
26874741 10.1016/j.ejmech.2016.01.039 Proto-oncogene tyrosine-protein kinase receptor Ret 1
26874741 10.1016/j.ejmech.2016.01.039 Vascular endothelial growth factor receptor 2 1
26874741 10.1016/j.ejmech.2016.01.039 Unchecked 1

Data from ChEMBL 36 via Core Engine