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Compound Detail

CHEMBL3754169

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CCCO[C@@](C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754169
Phase Preclinical
Structure Type MOL
InChI Key UBFFGLYHUXZQTE-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.84
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22F3NO2
MW 341.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.36

Literature References

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

Data from ChEMBL 36 via Core Engine