Compound Detail
CHEMBL2375624
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Basic Information
| ChEMBL ID | CHEMBL2375624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSKOBBAIXHUWTC-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.63
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 7.0 | 6.0833 | 100.0 | 3 |
| HUVEC CHEMBL613979 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| HeLa CHEMBL399 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | EC50 | = | 100.0 | nM | 7.0 | Inhibition of human methionine aminopeptidase 1 in presence of Co2+ | 23634668 |
| Methionine aminopeptidase 1 | EC50 | = | 1100.0 | nM | 5.96 | Inhibition of human methionine aminopeptidase 1 in presence of Zn2+ | 23634668 |
| HUVEC | EC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against HUVEC after 30 hrs by [3H]-thymidine incorpor... | 23634668 |
| NON-PROTEIN TARGET | EC50 | = | 1900.0 | nM | 5.72 | Antiproliferative activity against HDFa cells after 30 hrs by [3H]-thymidine inc... | 23634668 |
| Methionine aminopeptidase 1 | EC50 | = | 5100.0 | nM | 5.29 | Inhibition of human methionine aminopeptidase 1 in presence of Mn2+ | 23634668 |
| HeLa | EC50 | = | 5200.0 | nM | 5.28 | Antiproliferative activity against human HeLa cells after 30 hrs by [3H]-thymidi... | 23634668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 1 | 27 |
| 23634668 | 10.1021/jm400227z | Unchecked | 4 |
| 23634668 | 10.1021/jm400227z | HUVEC | 1 |
| 23634668 | 10.1021/jm400227z | NON-PROTEIN TARGET | 1 |
| 23634668 | 10.1021/jm400227z | HeLa | 1 |
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine