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Compound Detail

CHEMBL5395687

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CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395687
Phase Preclinical
Structure Type MOL
InChI Key DHBZIZPTHFPYRA-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.60
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O2S2
MW 309.42
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.26

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