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Compound Detail

CHEMBL330659

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

Basic Information

ChEMBL ID CHEMBL330659
Phase Preclinical
Structure Type MOL
InChI Key GBVDKAFHFXJKIV-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)
4.32
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.60
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 C15H9F6NO3
MW 365.23
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.17

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
30516990 10.1021/acs.jmedchem.8b00843 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine