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Compound Detail

CHEMBL205672

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Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1

Basic Information

ChEMBL ID CHEMBL205672
Phase Preclinical
Structure Type MOL
InChI Key PVQXGVSFLRLNTD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
5.91
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.46
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 C22H16F2N4
MW 374.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.76

Activity Summary

IC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 7.77 7.77 17.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 17.0 nM 7.77 Inhibition of JNK3 16337120
Mitogen-activated protein kinase 10 IC50 = 17.0 nM 7.77 Inhibition of JNK3 17451961

Literature References

PubMed DOI Target Context # Activities
16337120 10.1016/j.bmcl.2005.11.039 Mitogen-activated protein kinase 10 1
16337120 10.1016/j.bmcl.2005.11.039 No relevant target 1
17451961 10.1016/j.bmc.2007.03.062 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine