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Compound Detail

CHEMBL5395387

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O=C(O)CCC(NC(=O)c1csc(-c2ccccc2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395387
Phase Preclinical
Structure Type MOL
InChI Key DKEFHNUMNXAJDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.46
ALogP
4
HBA
3
HBD
103.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO5S
MW 333.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
37256819 10.1021/acs.jmedchem.3c00485 Nuclear receptor subfamily 4 group A member 2 3

Data from ChEMBL 36 via Core Engine