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Compound Detail

CHEMBL325541

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C=CCSc1nc(O)cc(Cc2cccc(C)c2)n1

Basic Information

ChEMBL ID CHEMBL325541
Phase Preclinical
Structure Type MOL
InChI Key XVQJSTFEYGSQBC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.36
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2OS
MW 272.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.37

Activity Summary

EC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MT4 EC50 = 3600.0 nM 5.44 Dose required to achieve 50% protection of MT-4 cells from HIV-1 induced cytopat... 7650679

Literature References

PubMed DOI Target Context # Activities
7650679 10.1021/jm00017a010 MT4 3

Data from ChEMBL 36 via Core Engine