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Compound Detail

CHEMBL4635203

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COc1cc(NC(=O)CCC2CCCN(Cc3ccc(F)c(OC)c3)C2)cc(OC)c1

Basic Information

ChEMBL ID CHEMBL4635203
Phase Preclinical
Structure Type MOL
InChI Key MSRNULIQIBVDIP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.48
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31FN2O4
MW 430.52
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TAR DNA-binding protein 43
CHEMBL2362981
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TAR DNA-binding protein 43 IC50 = 100.0 nM 7.0 Inhibition of TDP-43 (unknown origin) binding to RNA 31926785

Literature References

PubMed DOI Target Context # Activities
31926785 10.1016/j.bmcl.2019.126942 TAR DNA-binding protein 43 1

Data from ChEMBL 36 via Core Engine