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Compound Detail

CHEMBL5436610

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Cc1cc(C(=O)n2ccc3cccnc32)cc(C)c1O

Basic Information

ChEMBL ID CHEMBL5436610
Phase Preclinical
Structure Type MOL
InChI Key IIPAGXTZTTVAQE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.05
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O2
MW 266.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36001935 10.1016/j.ejmech.2022.114682 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine