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Compound Detail

CHEMBL482129

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COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)ncn3Cc3cccc(C#N)c3)n2)cc1

Basic Information

ChEMBL ID CHEMBL482129
Phase Preclinical
Structure Type MOL
InChI Key OYVXFDZOSCUERY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
5.69
ALogP
7
HBA
1
HBD
88.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23FN6O
MW 490.54
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.72 6.72 191.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18571921 10.1016/j.bmcl.2008.06.007 TGF-beta receptor type-1 1
18571921 10.1016/j.bmcl.2008.06.007 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine