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Compound Detail

CHEMBL58865

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CC(C)C#CC1(C2CC2)NS(=O)(=O)Nc2ccc(Cl)cc21

Basic Information

ChEMBL ID CHEMBL58865
Phase Preclinical
Structure Type MOL
InChI Key RNAITMBRVIPERX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.8
MW (Da)
2.86
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17ClN2O2S
MW 324.83
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.02

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.33 5.33 4627.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10673109 10.1016/s0960-894x(99)00672-1 NON-PROTEIN TARGET 1
10673109 10.1016/s0960-894x(99)00672-1 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine