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Compound Detail

CHEMBL277521

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Cc1cccc(C)c1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

Basic Information

ChEMBL ID CHEMBL277521
Phase Preclinical
Structure Type MOL
InChI Key WYNFNSAQVGSQMH-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
5.48
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26FN5O
MW 443.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.94

Activity Summary

IC50 3 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.46 7.46 34.3 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