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Compound Detail

CHEMBL1958454

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C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(C)oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958454
Phase Preclinical
Structure Type MOL
InChI Key GEMMRLPMIPRTSU-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
1.66
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.65
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 C15H16N2O5S
MW 336.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.75

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