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Compound Detail

CHEMBL5571263

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Cc1c(O)c(=O)ccn1NC(=O)/C=C/c1ccccc1

Basic Information

ChEMBL ID CHEMBL5571263
Phase Preclinical
Structure Type MOL
InChI Key RUXWTVMMXNVMOG-BQYQJAHWSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
1.65
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O3
MW 270.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.33

Activity Summary

EC50 1 meas. best 4.14
IC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 5.32 5.32 4800.0 1
HT-22
CHEMBL614316
EC50 4.14 4.14 72050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37976709 10.1016/j.ejmech.2023.115945 No relevant target 10
37976709 10.1016/j.ejmech.2023.115945 HT-22 2

Data from ChEMBL 36 via Core Engine