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Compound Detail

CHEMBL4871643

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CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4871643
Phase Preclinical
Structure Type MOL
InChI Key QOTYLQBPNZRMNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.8
MW (Da)
6.17
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H36N2S4
MW 408.77
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
33744437 10.1016/j.bmcl.2021.127958 Aldehyde dehydrogenase 1A1 1
33744437 10.1016/j.bmcl.2021.127958 Aldehyde dehydrogenase, mitochondrial 1

Data from ChEMBL 36 via Core Engine