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Compound Detail

CHEMBL252763

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O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)[C@H]1CCOC1

Basic Information

ChEMBL ID CHEMBL252763
Phase Preclinical
Structure Type MOL
InChI Key DGTWHZKHMUDXOY-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.00
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19FN4O2
MW 378.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 3.0 nM 8.52 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