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Compound Detail

CHEMBL4532328

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CS[C@H]1C(=O)N(Cc2ccccc2)[C@@H](SC)C(=O)N1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL4532328
Phase Preclinical
Structure Type MOL
InChI Key KBNKNAKLTFTNCZ-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.44
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O2S2
MW 386.54
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
31395510 10.1016/j.bmc.2019.07.047 Unchecked 2
31395510 10.1016/j.bmc.2019.07.047 Feline immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine