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Compound Detail

CHEMBL5201513

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Cn1c(=O)cc(C2CC2)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL5201513
Phase Preclinical
Structure Type MOL
InChI Key SJCKLNPJUZKFGN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
-0.05
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10N2O2
MW 166.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.55

Activity Summary

IC50 2 meas. best 3.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
YTH domain-containing family protein 2
CHEMBL4295992
IC50 3.31 3.31 491000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36110386 10.1021/acsmedchemlett.2c00303 YTH domain-containing family protein 2 2
36110386 10.1021/acsmedchemlett.2c00303 YTH domain-containing protein 1 1
37329678 10.1016/j.bmc.2023.117373 YTH domain-containing family protein 2 1

Data from ChEMBL 36 via Core Engine