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

CHEMBL1669147

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
CCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1

Basic Information

ChEMBL ID CHEMBL1669147
Phase Preclinical
Structure Type MOL
InChI Key ORLGRYVAVYRPCN-FBMGVBCBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.6
MW (Da)
6.66
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H38O4
MW 390.56
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.54

Activity Summary

IC50 2 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.92 4.92 12100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 12100.0 nM 4.92 Inhibition of recombinant HIV-1 group M subtype B RT-RNase H activity expressed ... 28254698

Literature References

PubMed DOI Target Context # Activities
28254698 10.1016/j.ejmech.2017.02.054 Unchecked 2
21216503 10.1016/j.ejmech.2010.12.016 Radical scavenging activity 1
21216503 10.1016/j.ejmech.2010.12.016 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine