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Compound Detail

CHEMBL5570533

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Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCS(=O)(=O)CC2)c2nc(C)c(C)nc21

Basic Information

ChEMBL ID CHEMBL5570533
Phase Preclinical
Structure Type MOL
InChI Key SZKPSPUHBSHOCL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
1.81
ALogP
8
HBA
2
HBD
131.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O4S
MW 443.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myelin transcription factor 1
CHEMBL2331044
IC50 6.15 6.15 713.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38146659 10.1021/acs.jmedchem.3c01476 Myelin transcription factor 1 1
38146659 10.1021/acs.jmedchem.3c01476 Wee1-like protein kinase 1

Data from ChEMBL 36 via Core Engine