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Compound Detail

CHEMBL3753961

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C=CCO[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3753961
Phase Preclinical
Structure Type MOL
InChI Key KPBUSSVGLFWJOB-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.7
MW (Da)
3.82
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9ClF3NO3
MW 307.66
Aromatic Rings 1
Heavy Atoms 20
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