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Compound Detail

CHEMBL5612229

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O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)C2(C(=O)O)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5612229
Phase Preclinical
Structure Type MOL
InChI Key PMXQALYDTCZYDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
2.18
ALogP
6
HBA
2
HBD
137.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4O6S
MW 508.56
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
39067439 10.1016/j.ejmech.2024.116705 Fatty acid-binding protein, liver 2

Data from ChEMBL 36 via Core Engine