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

CHEMBL210078

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
OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210078
Phase Preclinical
Structure Type MOL
InChI Key ILRRFUUZEJIVDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.3
MW (Da)
5.18
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20Cl2O4
MW 419.30
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
16884313 10.1021/jm060360i Fatty acid-binding protein, adipocyte 1
16884313 10.1021/jm060360i Fatty acid-binding protein 5 1

Data from ChEMBL 36 via Core Engine