Compound Detail
CHEMBL2288169
COCHLIOQUINONE B Enter ChEMBL ID:
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CC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O
Basic Information
| ChEMBL ID | CHEMBL2288169 |
| Name | COCHLIOQUINONE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTPNSKLZWVYKGK-WWURSIHSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.48
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b-245 light chain CHEMBL2366457 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.43 | 5.975 | 370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b-245 light chain | IC50 | = | 83.0 | nM | 7.08 | Inhibition of Bos taurus (bovine) heart mitochondrial NADPH oxidase activity ass... | - |
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | Inhibition of Bos taurus (bovine) heart mitochondrial electron transport protein... | - |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Solanum tuberosum (potato) tuber proton-pump NADH dehydrogenase ac... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.21.213 | Unchecked | 10 |
| - | 10.1584/jpestics.21.213 | Cytochrome b-245 light chain | 1 |
| - | 10.1584/jpestics.23.281 | No relevant target | 1 |
| - | 10.1584/jpestics.23.281 | Oryza sativa | 1 |
| - | 10.1584/jpestics.23.281 | Lolium multiflorum | 1 |
| 31397570 | 10.1021/acs.jnatprod.9b00288 | NCI-H226 | 1 |
| 31397570 | 10.1021/acs.jnatprod.9b00288 | MDA-MB-231 | 1 |
| 31397570 | 10.1021/acs.jnatprod.9b00288 | Bacillus subtilis | 1 |
| 31397570 | 10.1021/acs.jnatprod.9b00288 | Clostridium perfringens | 1 |
| 31397570 | 10.1021/acs.jnatprod.9b00288 | Pseudomonas viridiflava | 1 |
Data from ChEMBL 36 via Core Engine