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Compound Detail

CHEMBL59553

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O=c1[nH]c(=O)n([C@H]2CS[C@H](CO)O2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59553
Phase Preclinical
Structure Type MOL
InChI Key KOGYOPLNKQJQFM-PHDIDXHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
-0.74
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.72
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 C8H9FN2O4S
MW 248.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.60

Literature References

PubMed DOI Target Context # Activities
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1 2
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine