Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL488259

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1CSC(c2c(Cl)cccc2Cl)N1Cc1ccco1

Basic Information

ChEMBL ID CHEMBL488259
Phase Preclinical
Structure Type MOL
InChI Key RDGDIVQKAVGUJX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

328.2
MW (Da)
4.36
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.84
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 C14H11Cl2NO2S
MW 328.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.37

Activity Summary

EC50 1 meas. best 6.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 6.69 6.69 204.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 204.0 nM 6.69 Antiviral activity against HIV1 3B in human MT4 cells 17870209

Literature References

PubMed DOI Target Context # Activities
17870209 10.1016/j.ejmech.2007.07.017 Human immunodeficiency virus 1 1
18947995 10.1016/j.bmcl.2008.10.023 Replicase polyprotein 1ab 1
18947995 10.1016/j.bmcl.2008.10.023 Hepatitis C virus 1
18947995 10.1016/j.bmcl.2008.10.023 Unchecked 1

Data from ChEMBL 36 via Core Engine