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Compound Detail

CHEMBL4546028

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OCc1ccc(Sc2nc3ccccc3[nH]2)o1

Basic Information

ChEMBL ID CHEMBL4546028
Phase Preclinical
Structure Type MOL
InChI Key PZHJFIJSJBMKBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.80
ALogP
4
HBA
2
HBD
62.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O2S
MW 246.29
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lymphoma cell line
CHEMBL614114
IC50 4.85 4.85 14110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lymphoma cell line IC50 = 14110.0 nM 4.85 Cytotoxicity against mouse E-mu-Myc lymphoma cells assessed as decrease in cell ... -

Data from ChEMBL 36 via Core Engine