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

CHEMBL3594243

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
CC(=O)CCC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)[C@@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594243
Phase Preclinical
Structure Type MOL
InChI Key KVWUOMNJFDNWQM-FRJFDASCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.89
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O3
MW 250.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.34

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coxsackievirus B3
CHEMBL613554
 IC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coxsackievirus B3 IC50 = 6400.0 nM 5.19 Antiviral activity against Coxsackievirus B3 infected in African green monkey Ve... 26110443

Literature References

PubMed DOI Target Context # Activities
26110443 10.1021/np500951s NON-PROTEIN TARGET 2
26110443 10.1021/np500951s Coxsackievirus B3 1
26110443 10.1021/np500951s Vero 1
26110443 10.1021/np500951s Unchecked 1
26110443 10.1021/np500951s Mus musculus 1

Data from ChEMBL 36 via Core Engine