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Compound Detail

CHEMBL151782

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Oc1ccc(CC/N=C(\S)Nc2nccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151782
Phase Preclinical
Structure Type MOL
InChI Key UJKOTIRUWXKVLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
2.79
ALogP
4
HBA
3
HBD
57.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N3OS2
MW 279.39
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
11229762 10.1016/s0960-894x(01)00011-7 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine