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Compound Detail

CHEMBL563326

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Cc1ccc(C(=O)O)cc1Nc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563326
Phase Preclinical
Structure Type MOL
InChI Key KMWHOVQIVXUVNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
3.75
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.53
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 C21H16F2N4O3
MW 410.38
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
19574047 10.1016/j.bmcl.2009.06.058 Mitogen-activated protein kinase 14 1
19574047 10.1016/j.bmcl.2009.06.058 THP-1 1
19574047 10.1016/j.bmcl.2009.06.058 Blood 1

Data from ChEMBL 36 via Core Engine