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

CHEMBL227113

LOLIOLIDE
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
CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227113
Name LOLIOLIDE
Phase Preclinical
Structure Type MOL
InChI Key XEVQXKKKAVVSMW-WRWORJQWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
1.41
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H16O3
MW 196.25
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 2.98

Activity Summary

IC50 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 4.25 4.25 56700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 56700.0 nM 4.25 Inhibition of LPS induced NO production in mouse RAW264.7 cells measured after 2... 33667099

Literature References

PubMed DOI Target Context # Activities
28935182 10.1016/j.bmc.2017.09.001 Candida albicans 5
10425119 10.1021/np990033w Unchecked 4
10425119 10.1021/np990033w Raji 4
30057155 10.1016/j.bmc.2018.07.025 HT-29 2
33667099 10.1021/acs.jnatprod.0c01121 RAW264.7 2
29254644 10.1016/j.bmcl.2017.12.014 Unchecked 2
24963714 10.1021/np400831p RAW264.7 2
20192236 10.1021/np9005053 RAW264.7 1
11678652 10.1021/np010288l Aromatase 1
17547458 10.1021/np070089n WI-38 1
17547458 10.1021/np070089n HepG2 1
30057155 10.1016/j.bmc.2018.07.025 MDA-MB-231 1
30057155 10.1016/j.bmc.2018.07.025 MDA-MB-435 1
30057155 10.1016/j.bmc.2018.07.025 OVCAR-3 1
30057155 10.1016/j.bmc.2018.07.025 Transcription factor p65 1
32946697 10.1021/acs.jnatprod.0c00454 A549 1
32946697 10.1021/acs.jnatprod.0c00454 MDA-MB-231 1
32946697 10.1021/acs.jnatprod.0c00454 MCF7 1
32946697 10.1021/acs.jnatprod.0c00454 KB 1
37972998 10.1021/acs.jnatprod.3c00743 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine