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Compound Detail

CHEMBL68775

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O=c1ccn(C2OC(CO)C(F)C2F)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68775
Phase Preclinical
Structure Type MOL
InChI Key ZACSMWVJEMXZMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
-0.90
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.71
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 C9H10F2N2O4
MW 248.19
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
2165161 10.1021/jm00170a015 C8166 1
7520081 10.1021/jm00042a005 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine