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Compound Detail

CHEMBL507817

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O=C(O)c1cccc(-c2noc(C(F)(F)F)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL507817
Phase Preclinical
Structure Type MOL
InChI Key ZTOAUVQUTVRHBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.1
MW (Da)
2.45
ALogP
4
HBA
1
HBD
76.2
PSA (Ų)
0.89
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 C10H5F3N2O3
MW 258.15
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
19053778 10.1021/jm800869t Human immunodeficiency virus 1 1
19053778 10.1021/jm800869t MT2 1
19053778 10.1021/jm800869t Unchecked 1

Data from ChEMBL 36 via Core Engine