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Compound Detail

CHEMBL4740210

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COc1cc(/C=C2\SC(=O)NC2=O)ccc1COc1ccc(C(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL4740210
Phase Preclinical
Structure Type MOL
InChI Key QWMCMTYHOHEFMD-SXGWCWSVSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
4.62
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F3NO4S
MW 409.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 4.3
Ki 1 meas. best 7.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Forkhead box protein M1
CHEMBL4739852
Ki 7.67 7.67 21.5 1
Forkhead box protein M1
CHEMBL4739852
IC50 4.3 4.3 50540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33069434 10.1016/j.ejmech.2020.112902 Forkhead box protein M1 6
33069434 10.1016/j.ejmech.2020.112902 Unchecked 2
33069434 10.1016/j.ejmech.2020.112902 MDA-MB-231 2

Data from ChEMBL 36 via Core Engine