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Compound Detail

CHEMBL4283501

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Cn1nc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4283501
Phase Preclinical
Structure Type MOL
InChI Key HDPPNVMTCSUPRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

354.2
MW (Da)
2.81
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8F6N4O2
MW 354.21
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
30108896 10.1039/C7MD00278E Inhibitor of nuclear factor kappa-B kinase subunit beta 3
30108896 10.1039/C7MD00278E Inhibitor of nuclear factor kappa-B kinase subunit alpha 2
30108896 10.1039/C7MD00278E Inhibitor of nuclear factor kappa-B kinase subunit epsilon 2
30108896 10.1039/C7MD00278E Mitogen-activated protein kinase kinase kinase 14 2

Data from ChEMBL 36 via Core Engine