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

CHEMBL506852

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
Cc1cc(C)cc(Cn2c(=S)[nH]c3ccc(Cl)cc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506852
Phase Preclinical
Structure Type MOL
InChI Key XSPCPGMXRMWJOO-UHFFFAOYSA-N
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

302.8
MW (Da)
5.02
ALogP
2
HBA
1
HBD
20.7
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN2S
MW 302.83
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.42

Activity Summary

EC50 4 meas. best 7.12
IC50 2 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 7.34 7.34 46.0 2
Human immunodeficiency virus 1
CHEMBL378
 EC50 7.12 7.12 76.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 46.0 nM 7.34 Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity a... 18585918
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 46.0 nM 7.34 Inhibition of GST-tagged recombinant wild type HIV-1 reverse transcriptase p66/p... 24457088
Human immunodeficiency virus 1 EC50 = 76.0 nM 7.12 Antiviral activity against HIV1 3B in human MT4 cells assessed as virus-induced ... 18585918
Human immunodeficiency virus 1 EC50 = 76.0 nM 7.12 Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... -
Human immunodeficiency virus 1 EC50 = 76.0 nM 7.12 Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... -
Human immunodeficiency virus 1 EC50 = 76.0 nM 7.12 Antiviral activity against HIV-1 3B infected in human MT4 cells assessed as inhi... 24457088

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9406-2 Human immunodeficiency virus 1 2
24457088 10.1016/j.bmc.2013.12.045 Human immunodeficiency virus 1 2
18585918 10.1016/j.bmc.2008.06.012 Human immunodeficiency virus type 1 reverse transcriptase 1
18585918 10.1016/j.bmc.2008.06.012 Human immunodeficiency virus 1 1
18585918 10.1016/j.bmc.2008.06.012 MT4 1
18585918 10.1016/j.bmc.2008.06.012 Unchecked 1
24457088 10.1016/j.bmc.2013.12.045 Human immunodeficiency virus 2 1
24457088 10.1016/j.bmc.2013.12.045 Unchecked 1
24457088 10.1016/j.bmc.2013.12.045 MT4 1
24457088 10.1016/j.bmc.2013.12.045 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine