Compound Detail
CHEMBL4460950
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Basic Information
| ChEMBL ID | CHEMBL4460950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGWJRTFPANCVSF-NRFANRHFSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
1.63
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.28 | 7.12 | 52.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.066 | - | Mus musculus |
| Fu | 0.11 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3... | 31725285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31725285 | 10.1021/acs.jmedchem.9b01070 | ADMET | 4 |
| 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 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine