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Compound Detail

CHEMBL1413304

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O=C(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1413304
Phase Preclinical
Structure Type MOL
InChI Key CLILVEMCMVDPJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.73
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O4S
MW 328.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
39067439 10.1016/j.ejmech.2024.116705 Fatty acid-binding protein, liver 2
33862469 10.1016/j.bmc.2021.116115 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine