Compound Detail
CHEMBL2381001
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Basic Information
| ChEMBL ID | CHEMBL2381001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBRFASBGKHUAKZ-QPJJXVBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
3.59
ALogP
7
HBA
0
HBD
100.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.74 | 4.74 | 18240.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.52 | 4.52 | 30130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 18240.0 | nM | 4.74 | Inhibition of MetAP2 (unknown origin) after 4 hrs | 23582273 |
| HUVEC | IC50 | = | 30130.0 | nM | 4.52 | Antiproliferative against HUVEC after 48 hrs by MTT assay | 23582273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23582273 | 10.1016/j.bmcl.2013.03.068 | HUVEC | 2 |
| 23582273 | 10.1016/j.bmcl.2013.03.068 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine