Compound Detail
CHEMBL4450159
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Basic Information
| ChEMBL ID | CHEMBL4450159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNEDPFDUMWDQHL-IBGZPJMESA-N |
1
Targets
3
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
1.63
ALogP
4
HBA
3
HBD
98.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.14 | 7.0933 | 72.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 38.0 | ng.hr.mL-1 | Mus musculus |
| CL | 19.17 | mL.min-1.kg-1 | Mus musculus |
| Fu | 0.19 | - | Mus musculus |
| Fu | 0.19 | - | Homo sapiens |
| T1/2 | 0.82 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 72.0 | nM | 7.14 | Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 92.0 | nM | 7.04 | Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31725285 | 10.1021/acs.jmedchem.9b01070 | ADMET | 9 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 2 | 2 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | No relevant target | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Unchecked | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine