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Compound Detail

CHEMBL5192478

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O=c1cc(C2CC2)[nH]c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL5192478
Phase Preclinical
Structure Type MOL
InChI Key ABHXYFPEQCXJJJ-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
-0.06
ALogP
2
HBA
2
HBD
65.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8N2O2
MW 152.15
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.50

Activity Summary

IC50 5 meas. best 3.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
YTH domain-containing family protein 2
CHEMBL4295992
IC50 3.76 3.76 174000.0 1
YTH domain-containing family protein 3
CHEMBL5169172
IC50 3.66 3.66 218000.0 1
YTH domain-containing family protein 1
CHEMBL5169192
IC50 3.42 3.42 379000.0 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 2
36110386 10.1021/acsmedchemlett.2c00303 YTH domain-containing family protein 1 1
36110386 10.1021/acsmedchemlett.2c00303 YTH domain-containing family protein 3 1
37329678 10.1016/j.bmc.2023.117373 YTH domain-containing family protein 2 1
38805939 10.1016/j.ejmech.2024.116526 YTH domain-containing family protein 2 1

Data from ChEMBL 36 via Core Engine