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Compound Detail

CHEMBL3262578

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Nc1ccc(F)c(-c2ccc3ncnc(N)c3c2)c1

Basic Information

ChEMBL ID CHEMBL3262578
Phase Preclinical
Structure Type MOL
InChI Key QJZVASMOYAVXOA-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.60
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11FN4
MW 254.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.79

Activity Summary

IC50 3 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
IC50 6.76 6.66 174.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24673130 10.1021/jm500155b Mitogen-activated protein kinase kinase kinase kinase 4 1

Data from ChEMBL 36 via Core Engine