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Compound Detail

CHEMBL259160

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O=C1c2sccc2N(Cc2ccccc2Cl)S(=O)(=O)N1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL259160
Phase Preclinical
Structure Type MOL
InChI Key YSIOMERBYDXNHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

418.9
MW (Da)
4.31
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClN2O3S2
MW 418.93
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.32

Activity Summary

EC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 5.32 5.32 4800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17964796 10.1016/j.bmc.2007.10.013 Human immunodeficiency virus 1 1
17964796 10.1016/j.bmc.2007.10.013 MT4 1
17964796 10.1016/j.bmc.2007.10.013 Unchecked 1
17964796 10.1016/j.bmc.2007.10.013 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine