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Compound Detail

CHEMBL283614

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CC(C)C#CC1(C(F)(F)F)OCC(=O)Nc2ccc(Cl)cc21

Basic Information

ChEMBL ID CHEMBL283614
Phase Preclinical
Structure Type MOL
InChI Key NFSDYWBEIJLYRK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.7
MW (Da)
3.73
ALogP
2
HBA
1
HBD
38.3
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 C15H13ClF3NO2
MW 331.72
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.37 6.37 423.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11378361 10.1016/s0960-894x(01)00239-6 Human immunodeficiency virus type 1 reverse transcriptase 3

Data from ChEMBL 36 via Core Engine