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Compound Detail

CHEMBL419149

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CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

Basic Information

ChEMBL ID CHEMBL419149
Phase Preclinical
Structure Type MOL
InChI Key ZIQKOUXGMXLEMB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.11
ALogP
6
HBA
2
HBD
67.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21FN6
MW 352.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 27.0 nM 7.57 Inhibition against Mitogen-activated protein kinase p38 alpha 11597418

Literature References

PubMed DOI Target Context # Activities
11597418 10.1016/s0960-894x(01)00570-4 Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine