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Compound Detail

CHEMBL370899

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N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCN2CCOCC2)n1

Basic Information

ChEMBL ID CHEMBL370899
Phase Preclinical
Structure Type MOL
InChI Key UGSZLOMNCCDAFR-NBVRZTHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
2.63
ALogP
8
HBA
2
HBD
86.1
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 C19H20N6OS
MW 380.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL4092
IC50 6.12 6.12 760.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 760.0 nM 6.12 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