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Compound Detail

CHEMBL365191

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N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCN2CCCCC2)n1

Basic Information

ChEMBL ID CHEMBL365191
Phase Preclinical
Structure Type MOL
InChI Key ICJYEALBKFLIMA-XDJHFCHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
3.78
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.77
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 C20H22N6S
MW 378.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL4092
IC50 5.43 5.43 3740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 3740.0 nM 5.43 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

Data from ChEMBL 36 via Core Engine