Compound Detail
CHEMBL4475680
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Basic Information
| ChEMBL ID | CHEMBL4475680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMWSKRBLJAUOOY-NRFANRHFSA-N |
2
Targets
6
Activities
2
Assay Types
9
PK Parameters
11
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
2.15
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.82
Ki 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.82 | 7.2175 | 15.0 | 4 |
| HUVEC CHEMBL613979 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 19.0 | ng.hr.mL-1 | Mus musculus |
| CL | 3.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 3.0 | mL.min-1.kg-1 | Mus musculus |
| F | 35.0 | % | Mus musculus |
| F | 100.0 | % | Mus musculus |
| Fu | 0.017 | - | Mus musculus |
| Fu | 0.023 | - | Homo sapiens |
| T1/2 | 3.0 | hr | Mus musculus |
| T1/2 | 3.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | Ki | = | 0.16 | nM | 9.8 | Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrol... | 31725285 |
| HUVEC | IC50 | = | 15.0 | nM | 7.82 | Antiproliferative activity against HUVEC measured after 3 days by CyQUANT reagen... | 30939017 |
| Methionine aminopeptidase 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 30939017 |
| Methionine aminopeptidase 2 | IC50 | = | 75.0 | nM | 7.12 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 30939017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30939017 | 10.1021/acs.jmedchem.9b00041 | ADMET | 11 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | ADMET | 11 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 2 | 6 |
| 30939017 | 10.1021/acs.jmedchem.9b00041 | No relevant target | 4 |
| 30939017 | 10.1021/acs.jmedchem.9b00041 | U-87 MG | 4 |
| 30939017 | 10.1021/acs.jmedchem.9b00041 | Methionine aminopeptidase 2 | 2 |
| 30939017 | 10.1021/acs.jmedchem.9b00041 | HUVEC | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 1 | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | No relevant target | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Unchecked | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine