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Compound Detail

CHEMBL3746975

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CC1CNC(=O)c2ccccc2SSc2ccccc2C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746975
Phase Preclinical
Structure Type MOL
InChI Key XXCPUEXKFAHQJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
3.35
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O2S2
MW 344.46
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
26613134 10.1021/acs.jmedchem.5b01183 Unchecked 2
26613134 10.1021/acs.jmedchem.5b01183 Human immunodeficiency virus 1 1
26613134 10.1021/acs.jmedchem.5b01183 HuT78 1

Data from ChEMBL 36 via Core Engine