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Compound Detail

CHEMBL2262684

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CC(=O)N1C(=O)C(O)(C(F)(F)F)c2cc(C)ccc21

Basic Information

ChEMBL ID CHEMBL2262684
Phase Preclinical
Structure Type MOL
InChI Key MUFFMJNIMVWMQU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

273.2
MW (Da)
1.64
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.78
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 C12H10F3NO3
MW 273.21
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.38

Activity Summary

IC50 2 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.08 5.08 8370.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-007-9004-0 Vero 1
- 10.1007/s00044-007-9004-0 Human immunodeficiency virus type 1 reverse transcriptase 1
26708112 10.1016/j.ejmech.2015.11.025 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine