Compound Detail
CHEMBL1353042
OLIGOMYCIN C 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@@H]1C=CC=CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C
Basic Information
| ChEMBL ID | CHEMBL1353042 |
| Name | OLIGOMYCIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMMLZMMKTYEOKV-LMBDXJSXSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
775.1
MW (Da)
6.77
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.37
IC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.37 | 5.59 | 427.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.18 | 6.18 | 654.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 0.5 | nM | 9.3 | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | 22586124 |
| Plasmodium falciparum | IC50 | = | 111.0 | nM | 6.96 | HARVARD: Inhibition of blood stage Plasmodium falciparum Dd2 infection | 22586124 |
| Unchecked | EC50 | = | 427.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 654.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| HepG2 | IC50 | = | 15000.0 | nM | 4.82 | HARVARD: Cytotoxicity in HepG2 cell line | 22586124 |
| Unchecked | EC50 | = | 15596.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22586124 | 10.1073/pnas.1118370109 | HepG2 | 1 |
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium berghei | 1 |
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine