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Compound Detail

CHEMBL5194871

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CSc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)[nH]1

Basic Information

ChEMBL ID CHEMBL5194871
Phase Preclinical
Structure Type MOL
InChI Key IATSSYNKRCFJAY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.08
ALogP
6
HBA
2
HBD
66.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5OS
MW 381.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.70

Activity Summary

IC50 2 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.74 6.74 184.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35200035 10.1021/acs.jmedchem.1c01947 Mitogen-activated protein kinase 10 1
35200035 10.1021/acs.jmedchem.1c01947 Mitogen-activated protein kinase 14 1
36490325 10.1021/acs.jmedchem.2c00799 Mitogen-activated protein kinase 14 1
36490325 10.1021/acs.jmedchem.2c00799 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine