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Compound Detail

CHEMBL264673

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N#CCN1c2ccsc2C(=O)N(Cc2ccccc2)S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264673
Phase Preclinical
Structure Type MOL
InChI Key XETFNNWTBHNPJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
1.98
ALogP
5
HBA
0
HBD
81.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O3S2
MW 333.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
17964796 10.1016/j.bmc.2007.10.013 Human immunodeficiency virus 1 1
17964796 10.1016/j.bmc.2007.10.013 MT4 1
17964796 10.1016/j.bmc.2007.10.013 Unchecked 1
17964796 10.1016/j.bmc.2007.10.013 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine