Compound Detail
CHEMBL4464946
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4464946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVGGJQVCOTYFPV-FQEVSTJZSA-N |
1
Targets
4
Activities
3
Assay Types
16
PK Parameters
7
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
2.23
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Kd 1 meas. best 8.68
Ki 1 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | Kd | 8.68 | 8.68 | 2.1 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | Ki | 8.36 | 8.36 | 4.3 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.7 | 7.485 | 20.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 44.0 | ng.hr.mL-1 | Mus musculus |
| CL | 6.333 | mL.min-1.kg-1 | Mus musculus |
| CL | 5.833 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.293 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 0.5683 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 38.0 | % | Mus musculus |
| F | 65.0 | % | Rattus norvegicus |
| F | 67.0 | % | Macaca fascicularis |
| F | 80.0 | % | Canis lupus familiaris |
| Fu | 0.028 | - | Mus musculus |
| Fu | 0.018 | - | Homo sapiens |
| T1/2 | 2.75 | hr | Mus musculus |
| T1/2 | 0.801 | hr | Mus musculus |
| T1/2 | 3.36 | hr | Rattus norvegicus |
| T1/2 | 3.89 | hr | Macaca fascicularis |
| T1/2 | 4.7 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | Kd | = | 2.1 | nM | 8.68 | Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrol... | 31725285 |
| Methionine aminopeptidase 2 | Ki | = | 4.33 | nM | 8.36 | Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrol... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 31725285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31725285 | 10.1021/acs.jmedchem.9b01070 | ADMET | 30 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 2 | 6 |
| 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 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | CAKI-1 | 1 |
Data from ChEMBL 36 via Core Engine