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

CHEMBL128255

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
CCOC(=O)Nc1c(O)nc(C)c(CC)c1Cc1cc(C)cc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128255
Phase Preclinical
Structure Type MOL
InChI Key JJHIYZLWSIGWDT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.43
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.84
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 C20H26N2O3
MW 342.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CEM-SS
CHEMBL614548
 IC50 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CEM-SS IC50 = 460.0 nM 6.34 Tested for inhibitory concentration on HIV-I Lai wild type in CEM-SS cell line 11052800

Literature References

PubMed DOI Target Context # Activities
11052800 10.1021/jm0009437 CEM-SS 2
11052800 10.1021/jm0009437 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine