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Compound Detail

CHEMBL101745

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O=C1Nc2ccc([N+](=O)[O-])cc2[C@@](C#CC2CC2)(C(F)(F)F)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101745
Phase Preclinical
Structure Type MOL
InChI Key FRVRQTHENXFZCJ-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.2
MW (Da)
3.33
ALogP
4
HBA
1
HBD
81.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9F3N2O4
MW 326.23
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
12086483 10.1021/jm010580q Human immunodeficiency virus type 1 reverse transcriptase 1
26708112 10.1016/j.ejmech.2015.11.025 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine