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Compound Detail

CHEMBL1958442

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O=[N+]([O-])c1ccc(-c2nc(CN3CCOCC3)cs2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958442
Phase Preclinical
Structure Type MOL
InChI Key ZFIBLEGGEPZAOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.61
ALogP
7
HBA
0
HBD
68.5
PSA (Ų)
0.64
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 C12H13N3O3S2
MW 311.39
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.75

Literature References

PubMed DOI Target Context # Activities
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine