Compound Detail
CHEMBL517609
GLUTINONE 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)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL517609 |
| Name | GLUTINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUPCBKGIPJPDGW-VZTATICASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
424.7
MW (Da)
8.38
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of COX1 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 18926710 | 10.1016/j.bmc.2008.09.021 | Nitric oxide synthase, inducible | 1 |
| 18926710 | 10.1016/j.bmc.2008.09.021 | Unchecked | 1 |
| 39101318 | 10.1021/acs.jnatprod.4c00566 | Fusarium solani | 1 |
| 39101318 | 10.1021/acs.jnatprod.4c00566 | Fusarium tucumaniae | 1 |
| 39101318 | 10.1021/acs.jnatprod.4c00566 | Fusarium graminearum | 1 |
Data from ChEMBL 36 via Core Engine