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Compound Detail

CHEMBL274506

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Nc1c(C(=O)c2cccc(OCCN3CCCCC3)c2)cnn1-c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL274506
Phase Preclinical
Structure Type MOL
InChI Key DKDBPXXMGPNROW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.69
ALogP
6
HBA
1
HBD
73.4
PSA (Ų)
0.60
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 C23H25FN4O2
MW 408.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.85

Activity Summary

IC50 2 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.85 5.795 1410.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16509574 10.1021/jm050736c Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine