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

CHEMBL1927335

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
COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)n(Cc4ccc5c(c4)OCO5)c3=O)c(OC)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1927335
Phase Preclinical
Structure Type MOL
InChI Key LJKFRRXVVCOEQN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

588.5
MW (Da)
3.08
ALogP
11
HBA
0
HBD
124.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25FN2O9
MW 588.54
Aromatic Rings 4
Heavy Atoms 43

Activity Summary

IC50 2 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 IC50 4.52 4.52 30000.0 1
HepG2
CHEMBL395
 IC50 4.04 4.04 91000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 IC50 = 30000.0 nM 4.52 Cytotoxicity against human HEK293 cells after 2 days by alamar blue assay 22093761
HepG2 IC50 = 91000.0 nM 4.04 Cytotoxicity against human HepG2 cells after 2 days by alamar blue assay 22093761

Literature References

PubMed DOI Target Context # Activities
22093761 10.1016/j.ejmech.2011.10.050 NON-PROTEIN TARGET 1
22093761 10.1016/j.ejmech.2011.10.050 SGC-7901 1
22093761 10.1016/j.ejmech.2011.10.050 HepG2 1
22093761 10.1016/j.ejmech.2011.10.050 HEK293 1

Data from ChEMBL 36 via Core Engine