Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL370516

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)cc1

Basic Information

ChEMBL ID CHEMBL370516
Phase Preclinical
Structure Type MOL
InChI Key GQFFXJQPXNHYKQ-HEHNFIMWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.55
ALogP
7
HBA
2
HBD
82.9
PSA (Ų)
0.59
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 C22H19N5OS
MW 401.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.12

Activity Summary

IC50 2 meas. best 8.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 8.51 8.51 3.1 1
Mitogen-activated protein kinase 10
CHEMBL4092
IC50 5.51 5.51 3080.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 3.1 nM 8.51 Inhibition of JNK3 17451961
Mitogen-activated protein kinase 10 IC50 = 3080.0 nM 5.51 Inhibition of rat c-Jun N-terminal kinase 3 15999997

Literature References

PubMed DOI Target Context # Activities
15999997 10.1021/jm0310986 Mitogen-activated protein kinase 10 1
17451961 10.1016/j.bmc.2007.03.062 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine