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Compound Detail

CHEMBL5175086

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CCOC(=O)c1nc(-c2ccc(Br)cc2)oc1C

Basic Information

ChEMBL ID CHEMBL5175086
Phase Preclinical
Structure Type MOL
InChI Key CFBVDJAFDNBQCL-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.1
MW (Da)
3.59
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12BrNO3
MW 310.15
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.42

Activity Summary

EC50 1 meas. best 5.22
Kd 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RISC-loading complex subunit TARBP2
CHEMBL2098
Kd 6.63 6.63 235.4 1
Unchecked
CHEMBL612545
EC50 5.22 5.22 5980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35695407 10.1021/acs.jmedchem.2c00189 RISC-loading complex subunit TARBP2 1
35695407 10.1021/acs.jmedchem.2c00189 Unchecked 1

Data from ChEMBL 36 via Core Engine