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Compound Detail

CHEMBL354236

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O=C1CCC2c3cc(Cl)cc4nc(S)n(c34)CCN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354236
Phase Preclinical
Structure Type MOL
InChI Key VFDSJXKZZHPDQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.8
MW (Da)
2.66
ALogP
4
HBA
1
HBD
38.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12ClN3OS
MW 293.78
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
7877143 10.1021/jm00005a005 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine