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Compound Detail

CHEMBL5201452

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CCOC(=O)c1nc(-c2ccc(OC)cc2)oc1CC

Basic Information

ChEMBL ID CHEMBL5201452
Phase Preclinical
Structure Type MOL
InChI Key JNHMBILIIONVKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
3.09
ALogP
5
HBA
0
HBD
61.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO4
MW 275.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.85

Activity Summary

Kd 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RISC-loading complex subunit TARBP2
CHEMBL2098
Kd 6.17 6.17 679.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RISC-loading complex subunit TARBP2 Kd = 679.8 nM 6.17 Binding affinity to human recombinant TRBP by SPR assay 35695407

Literature References

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

Data from ChEMBL 36 via Core Engine