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

CHEMBL415678

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=C(OC(C(=O)O)C(OC(=O)c1ccc(O)c(O)c1)C(=O)O)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL415678
Phase Preclinical
Structure Type MOL
InChI Key LXHXLVFPIYKREW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
0.43
ALogP
10
HBA
6
HBD
208.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14O12
MW 422.30
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.47

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 IC50 6.37 6.37 430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 integrase IC50 = 430.0 nM 6.37 Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1... 9986720

Literature References

PubMed DOI Target Context # Activities
9986720 10.1021/jm9804735 Human immunodeficiency virus 1 3
9986720 10.1021/jm9804735 Human immunodeficiency virus type 1 integrase 2
9986720 10.1021/jm9804735 MT2 1

Data from ChEMBL 36 via Core Engine