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

CHEMBL243549

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(C)C1=C[C@]2(O)CC[C@H]3C(C)(C)CCC[C@]3(C)C2=CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243549
Phase Preclinical
Structure Type MOL
InChI Key DWDOXTINEVOYSV-FFZOFVMBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

302.5
MW (Da)
4.44
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H30O2
MW 302.46
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 3.02

Activity Summary

EC50 1 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SARS-CoV
CHEMBL4303836
 EC50 5.83 5.83 1470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SARS-CoV EC50 = 1470.0 nM 5.83 Antiviral activity against SARS coronavirus in Vero E6 cells assessed as inhibit... 17663539

Literature References

PubMed DOI Target Context # Activities
17663539 10.1021/jm070295s SARS-CoV 5
17663539 10.1021/jm070295s Vero 1
17663539 10.1021/jm070295s Unchecked 1
17190465 10.1021/np060279i A2780 1
17190465 10.1021/np060279i SW1573 1
17190465 10.1021/np060279i WiDr 1
17190465 10.1021/np060279i T47D 1
17190465 10.1021/np060279i HBL-100 1

Data from ChEMBL 36 via Core Engine