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Compound Detail

CHEMBL5179433

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O=C(O)C1=C(CSc2nc3ccccc3s2)CS[C@@H]2CC(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5179433
Phase Preclinical
Structure Type MOL
InChI Key RGEWWOQOZNSPFW-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
3.03
ALogP
6
HBA
1
HBD
70.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O3S3
MW 364.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
35152091 10.1016/j.ejmech.2022.114174 Unchecked 1

Data from ChEMBL 36 via Core Engine