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Compound Detail

CHEMBL521424

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NC(=O)c1cccc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc(NC3CC3)n2)c1

Basic Information

ChEMBL ID CHEMBL521424
Phase Preclinical
Structure Type MOL
InChI Key QTYPWOVQOOTRAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.87
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN6O
MW 428.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 7.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.56 7.56 27.6 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