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Compound Detail

CHEMBL5761084

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CSc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C

Basic Information

ChEMBL ID CHEMBL5761084
Phase Preclinical
Structure Type MOL
InChI Key OLGSXYPPKJJNJR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
1.54
ALogP
7
HBA
2
HBD
88.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N5O2S
MW 317.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
IC50 7.26 7.26 55.0 1
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine