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Compound Detail

CHEMBL3752354

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O=C1Nc2ccc(Cl)cc2[C@@](C#Cc2ccco2)(C(F)(F)F)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752354
Phase Preclinical
Structure Type MOL
InChI Key RNTLPSPDXMIJMC-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.7
MW (Da)
4.30
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H7ClF3NO3
MW 341.67
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.17

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