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Compound Detail

CHEMBL252762

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Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](Cn2ccnc2)CC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252762
Phase Preclinical
Structure Type MOL
InChI Key PSMXUCRLVJTKLX-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.49
ALogP
7
HBA
1
HBD
73.5
PSA (Ų)
0.49
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 C24H24FN7
MW 429.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 7.0 nM 8.15 Inhibition of JNK3 17451961

Literature References

PubMed DOI Target Context # Activities
17451961 10.1016/j.bmc.2007.03.062 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine