Compound Detail
CHEMBL4464652
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Basic Information
| ChEMBL ID | CHEMBL4464652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSCWVRVQWBJERI-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.8
MW (Da)
2.22
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 30939017 |
| HUVEC | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against HUVEC measured after 3 days by CyQUANT reagen... | 30939017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30939017 | 10.1021/acs.jmedchem.9b00041 | Methionine aminopeptidase 2 | 1 |
| 30939017 | 10.1021/acs.jmedchem.9b00041 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine