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Compound Detail

CHEMBL5806007

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Cc1cc(Nc2ncnc3sc(C(N)=O)cc23)c(=O)n2c1C(=O)NC21CCCCC1

Basic Information

ChEMBL ID CHEMBL5806007
Phase Preclinical
Structure Type MOL
InChI Key OYTSQSJDXCELPM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.36
ALogP
8
HBA
3
HBD
132.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N6O3S
MW 424.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
IC50 8.29 8.29 5.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine