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Compound Detail

CHEMBL4778166

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Cn1cc(-c2ccc3ncnc(Nc4cccc(NC(=O)Nc5ccc(F)cc5)c4)c3c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778166
Phase Preclinical
Structure Type MOL
InChI Key SNVGEJBNZKPTRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
5.56
ALogP
6
HBA
3
HBD
96.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20FN7O
MW 453.48
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
32717530 10.1016/j.ejmech.2020.112589 Aurora kinase B 1

Data from ChEMBL 36 via Core Engine