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

CHEMBL3288080

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
C=C(COS(=O)(=O)[O-])[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OS(=O)(=O)[O-])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2OS(=O)(=O)[O-].[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288080
Phase Preclinical
Structure Type MOL
InChI Key HRQWYFJILYUKPU-PGOROUMASA-K
Parent Compound CHEMBL3307063
Active Moiety CHEMBL3307063
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

698.9
MW (Da)
5.45
ALogP
9
HBA
3
HBD
190.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H47Na3O12S3
MW 764.87
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 2.14

Literature References

PubMed DOI Target Context # Activities
24835788 10.1016/j.bmc.2014.04.050 Acetylcholinesterase 2
24835788 10.1016/j.bmc.2014.04.050 Cholinesterase 2

Data from ChEMBL 36 via Core Engine