Compound Detail
CHEMBL502162
ROLLIMEMBRIN 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
CCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H]2CC[C@@H]([C@H](O)CCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1
Basic Information
| ChEMBL ID | CHEMBL502162 |
| Name | ROLLIMEMBRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVZIPERWMPDEIZ-OLGGLSEGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
594.9
MW (Da)
7.08
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.48 | 9.3467 | 0.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.33 | nM | 9.48 | Inhibition of NADH-oxidase activity of electron transport protein complex 1 in s... | 9722484 |
| Unchecked | IC50 | = | 0.33 | nM | 9.48 | Inhibition of NADH oxidase | 10096871 |
| Unchecked | IC50 | = | 0.83 | nM | 9.08 | Inhibition of NADH-ubiquinone oxidoreductase activity of electron transport prot... | 9722484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9722484 | 10.1021/np980079+ | Unchecked | 2 |
| 10096871 | 10.1021/np980406d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine