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Compound Detail

CHEMBL3754079

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O=C1Nc2ccc(-c3ccccc3)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754079
Phase Preclinical
Structure Type MOL
InChI Key ZRUDDAIDEDUTCX-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
5.09
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.72
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3NO2
MW 357.33
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.24

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