Compound Detail
CHEMBL426367
EBURICOL Enter ChEMBL ID:
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C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](C)C(C)(C)C1CC3)C(C)C
Basic Information
| ChEMBL ID | CHEMBL426367 |
| Name | EBURICOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBHVSNYZPRMDBJ-PCBLTFNCSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.8
MW (Da)
10.00
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.66 | 4.66 | 21900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.66 | 4.66 | 21900.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 4.3 | 4.3 | 50470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21900.0 | nM | 4.66 | Inhibition of NOX in fMLP-induced PMN cells assessed as NO production | 21115251 |
| NON-PROTEIN TARGET | IC50 | = | 21900.0 | nM | 4.66 | Antiinflammatory activity in human PMNC cells assessed as inhibition of fMLP-ind... | 21028898 |
| Nitric oxide synthase, inducible | IC50 | = | 22300.0 | nM | 4.65 | Inhibition of iNOS in mouse BV2 microglial cells assessed as NO production | 21115251 |
| BV-2 | IC50 | = | 22300.0 | nM | 4.65 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc... | 21028898 |
| Neutrophil | IC50 | = | 50470.0 | nM | 4.3 | Inhibition of fMLP-induced superoxide production in human neutrophils | 17559265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21028898 | 10.1021/np1002143 | NON-PROTEIN TARGET | 3 |
| 20660663 | 10.1128/aac.00316-10 | 14-alpha sterol demethylase | 3 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | Unchecked | 2 |
| 21028898 | 10.1021/np1002143 | KB | 2 |
| 21028898 | 10.1021/np1002143 | BV-2 | 2 |
| 17559265 | 10.1021/np070045e | Neutrophil | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine