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Compound Detail

CHEMBL480933

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COc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccc(C(N)=O)cc2)n1

Basic Information

ChEMBL ID CHEMBL480933
Phase Preclinical
Structure Type MOL
InChI Key YYGCPDRAFVGGAS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.30
ALogP
6
HBA
1
HBD
95.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN5O2
MW 403.42
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.04 6.04 916.0 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