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Compound Detail

CHEMBL419928

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Cc1c(O)nc(S)nc1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419928
Phase Preclinical
Structure Type MOL
InChI Key LMYJDTWTSBWPEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.37
ALogP
4
HBA
2
HBD
46.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2OS
MW 232.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
7650679 10.1021/jm00017a010 MT4 2
7650679 10.1021/jm00017a010 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine