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

CHEMBL2181290

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
COc1cc2c(cc1OC)[C@@H]1[C@H](OC3CCOCC3)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181290
Phase Preclinical
Structure Type MOL
InChI Key ZNSLOLQVLXKWFP-CMTIAEDTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.06
ALogP
7
HBA
0
HBD
64.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32O7
MW 480.56
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 1.90

Literature References

PubMed DOI Target Context # Activities
23186287 10.1021/jm301488q NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine