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Compound Detail

CHEMBL5219079

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O=C([C@H]1CCCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(B(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5219079
Phase Preclinical
Structure Type MOL
InChI Key OXUCXHVGAXTWFQ-HSZRJFAPSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

636.5
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30BF5N2O5S
MW 636.45

Activity Summary

IC50 2 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AGS
CHEMBL613860
 IC50 5.56 5.56 2780.0 1
MGC-803
CHEMBL3706566
 IC50 5.22 5.22 6070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AGS IC50 = 2780.0 nM 5.56 Antiproliferative activity against human AGS cells assessed as reduction in cell... 36170649
MGC-803 IC50 = 6070.0 nM 5.22 Antiproliferative activity against human MGC-803 cells assessed as reduction in ... 36170649

Literature References

PubMed DOI Target Context # Activities
36170649 10.1021/acs.jmedchem.2c00940 AGS 1
36170649 10.1021/acs.jmedchem.2c00940 MGC-803 1

Data from ChEMBL 36 via Core Engine