Compound Detail
CHEMBL47986
ERBSTATIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL47986 |
| Name | ERBSTATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIHZWGODIRRSRA-ONEGZZNKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
0.81
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.7 | 5.3567 | 2000.0 | 3 |
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 5.43 | 5.43 | 3719.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of EGF-stimulated EGFR tyrosine kinase activity using plasma membrane... | 8355247 |
| Epidermal growth factor receptor | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Epidermal growth factor receptor | - |
| Aspartyl aminopeptidase | IC50 | = | 3719.0 | nM | 5.43 | PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay fo... | - |
| Epidermal growth factor receptor | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2614420 | 10.1021/np50066a009 | Unchecked | 3 |
| - | 10.1016/S0960-894X(01)80792-7 | Epidermal growth factor receptor | 2 |
| 1479375 | 10.1021/np50089a001 | L1210 | 2 |
| 2614420 | 10.1021/np50066a009 | Epidermal growth factor receptor | 2 |
| 2552117 | 10.1021/jm00130a020 | Epidermal growth factor receptor | 1 |
| 8355247 | 10.1021/jm00069a003 | Epidermal growth factor receptor | 1 |
| 1479375 | 10.1021/np50089a001 | NON-PROTEIN TARGET | 1 |
| 1479375 | 10.1021/np50089a001 | A-431 | 1 |
| 1479375 | 10.1021/np50089a001 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine