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

CHEMBL3230265

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
CCc1ccccc1OCC(O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1

Basic Information

ChEMBL ID CHEMBL3230265
Phase Preclinical
Structure Type MOL
InChI Key DAHKEOSNCIHHPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
2.79
ALogP
8
HBA
2
HBD
132.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO8
MW 401.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ileum
CHEMBL613680
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ileum IC50 = 2700.0 nM 5.57 Antagonism of slow reacting substance of anaphylaxis-induced effect in guinea pi... 84871

Literature References

PubMed DOI Target Context # Activities
84871 10.1021/jm00188a007 Ileum 1

Data from ChEMBL 36 via Core Engine