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Compound Detail

CHEMBL267060

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COC(=O)C1CSC(c2ccccc2O)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267060
Phase Preclinical
Structure Type MOL
InChI Key VMLRZHQETSSJIM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.43
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11NO3S
MW 237.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.75

Activity Summary

IC50 2 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.85 4.85 14000.0 1
P388
CHEMBL389
 IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 14000.0 nM 4.85 Antiproliferative activity of compound expressed as concentration that inhibits ... 2709372
P388 IC50 = 18000.0 nM 4.75 Antiproliferative activity of compound expressed as concentration that inhibits ... 2709372

Literature References

PubMed DOI Target Context # Activities
2709372 10.1021/jm00125a018 L1210 8
2709372 10.1021/jm00125a018 P388 2
2709372 10.1021/jm00125a018 No relevant target 2

Data from ChEMBL 36 via Core Engine