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Compound Detail

CHEMBL148764

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CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(=O)CC

Basic Information

ChEMBL ID CHEMBL148764
Phase Preclinical
Structure Type MOL
InChI Key UCQSWSSAMLXKRN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.8
MW (Da)
2.90
ALogP
6
HBA
1
HBD
94.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN2O5S
MW 384.84
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.76

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MT4 EC50 = 1000.0 nM 6.0 Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells 8558522

Literature References

PubMed DOI Target Context # Activities
8558522 10.1021/jm950568w MT4 3
8558522 10.1021/jm950568w Human immunodeficiency virus type 1 reverse transcriptase 3
8558522 10.1021/jm950568w Human immunodeficiency virus type 2 pol protein 1

Data from ChEMBL 36 via Core Engine