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Compound Detail

CHEMBL292711

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CCC#C[C@]1(C(F)(F)F)NC(=O)Nc2ccc(F)c(F)c21

Basic Information

ChEMBL ID CHEMBL292711
Phase Preclinical
Structure Type MOL
InChI Key WIMGYVJTHCCHKJ-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.2
MW (Da)
3.27
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.56
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 C13H9F5N2O
MW 304.22
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.46

Activity Summary

IC50 1 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 7.13 7.13 74.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 74.0 nM 7.13 Inhibition of HIV-1 reverse transcriptase. 10821714

Literature References

PubMed DOI Target Context # Activities
10821714 10.1021/jm990580e Human immunodeficiency virus 1 5
10821714 10.1021/jm990580e Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine