Compound Detail
CHEMBL539894
BENGAMIDE O Enter ChEMBL ID:
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CCC(C)CCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C)C(=O)N(C)C1
Basic Information
| ChEMBL ID | CHEMBL539894 |
| Name | BENGAMIDE O |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNBHFCGOEQQWTA-OQYACCBASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.9
MW (Da)
3.89
ALogP
8
HBA
4
HBD
145.6
PSA (Ų)
0.09
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of methionine aminopeptidase 1 | 19209899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19209899 | 10.1021/np800817y | Methionine aminopeptidase 2 | 1 |
| 19209899 | 10.1021/np800817y | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine