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Compound Detail

CHEMBL1761556

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c1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1ncc2ccc(-c3cnoc3)cc2n1

Basic Information

ChEMBL ID CHEMBL1761556
Phase Preclinical
Structure Type MOL
InChI Key IZXKZRFEKYIOCQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.45
ALogP
10
HBA
1
HBD
107.0
PSA (Ų)
0.44
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 C23H20N8O2
MW 440.47
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 700.0 nM 6.16 Inhibition of JNK3 by HRTF 21316221

Literature References

PubMed DOI Target Context # Activities
21316221 10.1016/j.bmcl.2011.01.079 Mitogen-activated protein kinase 10 1
21316221 10.1016/j.bmcl.2011.01.079 Mitogen-activated protein kinase 8 1
21316221 10.1016/j.bmcl.2011.01.079 Transcription factor Jun 1
21316221 10.1016/j.bmcl.2011.01.079 Plasma 1
21316221 10.1016/j.bmcl.2011.01.079 Brain 1

Data from ChEMBL 36 via Core Engine