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

CHEMBL3973420

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
CCCCCCNC(=O)c1cc(O)c(=O)c2c(O)c(O)c(OC)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3973420
Phase Preclinical
Structure Type MOL
InChI Key WVTTWKCPCAYNLO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.64
ALogP
6
HBA
4
HBD
116.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO6
MW 361.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 1/2
CHEMBL3885644
 IC50 5.87 5.87 1360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 1/2 IC50 = 1360.0 nM 5.87 Antagonist activity at TLR1/2 in mouse RAW264.7 cells assessed as inhibition of ... -

Data from ChEMBL 36 via Core Engine