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Compound Detail

CHEMBL14565

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CC(=O)Nc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

Basic Information

ChEMBL ID CHEMBL14565
Phase Preclinical
Structure Type MOL
InChI Key VKAFRUIKWMVLKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
4.82
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.42
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 C26H25FN6O2
MW 472.52
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.87 6.87 134.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine