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Compound Detail

CHEMBL109772

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CSc1nc(O)cc(Cc2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL109772
Phase Preclinical
Structure Type MOL
InChI Key FQRCZXHZAKAIFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.49
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2OS
MW 232.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.36

Activity Summary

EC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 4.46 4.46 34500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MT4 EC50 = 34500.0 nM 4.46 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
7650679 10.1021/jm00017a010 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine