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Compound Detail

CHEMBL14300

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COc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1

Basic Information

ChEMBL ID CHEMBL14300
Phase Preclinical
Structure Type MOL
InChI Key VSEXCRCUHFHFTK-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
4.87
ALogP
7
HBA
1
HBD
74.1
PSA (Ų)
0.46
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 C25H24FN5O2
MW 445.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.01

Activity Summary

IC50 3 meas. best 7.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.73 7.71 18.7 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17706839 10.1016/j.ejmech.2007.06.009 Mitogen-activated protein kinase 14 2
11354358 10.1016/s0960-894x(01)00163-9 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine