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Compound Detail

CHEMBL5428356

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Cc1cc(Cc2cn(S(C)(=O)=O)c3ccccc23)cc(C)c1O

Basic Information

ChEMBL ID CHEMBL5428356
Phase Preclinical
Structure Type MOL
InChI Key PANIMITZDSFGEI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.36
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO3S
MW 329.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GL261
CHEMBL4483239
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GL261 IC50 = 100000.0 nM 4.0 Anti-proliferative activity against mouse GL261 cells assessed as cell viability... 37861443

Literature References

PubMed DOI Target Context # Activities
37861443 10.1021/acs.jmedchem.3c01090 U-87 MG 1
37861443 10.1021/acs.jmedchem.3c01090 GL261 1

Data from ChEMBL 36 via Core Engine