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Compound Detail

CHEMBL2024526

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COc1ccc(-c2c(=O)ncn3nc(Sc4ccccc4)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL2024526
Phase Preclinical
Structure Type MOL
InChI Key YYQVWVIXANHAAH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.92
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O2S
MW 361.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900264 10.1021/ml2001455 Mitogen-activated protein kinase 14 3

Data from ChEMBL 36 via Core Engine