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

CHEMBL4798860

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
COc1c(OCC(=O)N(C)C)cc2oc3cc(OCC(=O)N(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4798860
Phase Preclinical
Structure Type MOL
InChI Key SMPQHZQVNZXUNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

580.7
MW (Da)
4.61
ALogP
8
HBA
1
HBD
118.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40N2O8
MW 580.68
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness 0.87

Literature References

PubMed DOI Target Context # Activities
33513389 10.1016/j.bmcl.2021.127820 Phosphoglycerate mutase 1 1

Data from ChEMBL 36 via Core Engine