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Compound Detail

CHEMBL393115

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Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc2cc(-c3ccncc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393115
Phase Preclinical
Structure Type MOL
InChI Key VCBWSBXTKWOQGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
6.07
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.44
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 C22H16F3N3O
MW 395.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
17884497 10.1016/j.bmcl.2007.07.104 Proto-oncogene tyrosine-protein kinase receptor Ret 1

Data from ChEMBL 36 via Core Engine