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Compound Detail

CHEMBL4281678

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O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4281678
Phase Preclinical
Structure Type MOL
InChI Key MKYJMYGYSKQKEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.83
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12FN3O2
MW 309.30
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
29764757 10.1016/j.bmc.2018.04.033 Dual specificity protein kinase TTK 1
29764757 10.1016/j.bmc.2018.04.033 Aurora kinase A 1
29764757 10.1016/j.bmc.2018.04.033 Aurora kinase B/Inner centromere protein 1

Data from ChEMBL 36 via Core Engine