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

CHEMBL516745

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
Cc1ccc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516745
Phase Preclinical
Structure Type MOL
InChI Key XBLAFYVDDKERKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.86
ALogP
3
HBA
1
HBD
45.8
PSA (Ų)
0.50
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 C21H20F2N2OS
MW 386.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.52

Activity Summary

EC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 400.0 nM 6.4 Antiviral activity against HIV1 NL4-3 in human MT4 cells assessed as inhibition ... 18630898

Literature References

PubMed DOI Target Context # Activities
18630898 10.1021/jm800340w Human immunodeficiency virus 1 1
18630898 10.1021/jm800340w MT4 1
18630898 10.1021/jm800340w Unchecked 1

Data from ChEMBL 36 via Core Engine