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

CHEMBL4471396

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
COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)[C@H](O)C[C@@H](O)C(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471396
Phase Preclinical
Structure Type MOL
InChI Key GBADVZQQQTVIQG-GPWDMKRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
2.42
ALogP
8
HBA
4
HBD
129.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H34O8
MW 486.56
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
31433188 10.1021/acs.jnatprod.9b00563 Acetylcholinesterase 2
31433188 10.1021/acs.jnatprod.9b00563 Danio rerio 1
31433188 10.1021/acs.jnatprod.9b00563 Cholinesterase 1

Data from ChEMBL 36 via Core Engine