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Compound Detail

CHEMBL4474638

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COc1cc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)ccc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474638
Phase Preclinical
Structure Type MOL
InChI Key VBLHCJADWLKAFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.76
ALogP
5
HBA
1
HBD
62.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15FN4O
MW 358.38
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
31122869 10.1016/j.bmcl.2019.05.023 Unchecked 1

Data from ChEMBL 36 via Core Engine