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Compound Detail

CHEMBL5924579

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Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCC1

Basic Information

ChEMBL ID CHEMBL5924579
Phase Preclinical
Structure Type MOL
InChI Key INFKNVOKKIXEMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
2.49
ALogP
7
HBA
2
HBD
88.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N5O2S
MW 353.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
IC50 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine