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Compound Detail

CHEMBL297103

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COC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL297103
Phase Preclinical
Structure Type MOL
InChI Key MZBDWXUBAMIONF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.74
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 C16H13F3N2O3
MW 338.29
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.3 6.3 504.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10937734 10.1016/s0960-894x(00)00321-8 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine