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Compound Detail

CHEMBL5422201

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CC(C)C(C(=O)N(C)c1nccs1)N(C)C(=O)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422201
Phase Preclinical
Structure Type MOL
InChI Key KFPZPFFSAIZSDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
2.96
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O2S2
MW 337.47
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
36516003 10.1021/acs.jmedchem.2c01631 Endoplasmic reticulum chaperone BiP 1
37690265 10.1016/j.ejmech.2023.115792 Endoplasmic reticulum chaperone BiP 1

Data from ChEMBL 36 via Core Engine