Compound Detail
CHEMBL562231
OVALICIN 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
Basic Information
| ChEMBL ID | CHEMBL562231 |
| Name | OVALICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NESRXFGQJARQNM-OWYFMNJBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
1.38
ALogP
5
HBA
1
HBD
71.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| A-431 CHEMBL614069 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of methionine aminopeptidase 2 | 19209899 |
| A-431 | IC50 | = | 7500.0 | nM | 5.12 | In vitro antiproliferative effect against A431 human epidermoid carcinoma cells | - |
| ADMET | IC50 | = | 10000.0 | nM | 5.0 | Compound was tested for antiproliferative effect against primary endothelial cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00564-1 | Gallus gallus | 1 |
| - | 10.1016/S0960-894X(96)00564-1 | A-431 | 1 |
| - | 10.1016/S0960-894X(96)00564-1 | ADMET | 1 |
| 19209899 | 10.1021/np800817y | Methionine aminopeptidase 2 | 1 |
| 19209899 | 10.1021/np800817y | Methionine aminopeptidase 1 | 1 |
| 23964677 | 10.1021/np400192q | A549 | 1 |
| 30978020 | 10.1021/acs.jnatprod.8b01053 | BMDM | 1 |
Data from ChEMBL 36 via Core Engine