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Compound Detail

CHEMBL3752646

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CC(=O)Nc1ccc2c(c1)[C@@](C#CC1CC1)(C(F)(F)F)OC(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752646
Phase Preclinical
Structure Type MOL
InChI Key GEXMVGJMVKSGDP-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
3.38
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.77
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 C16H13F3N2O3
MW 338.29
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
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