Compound Detail
CHEMBL4451402
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Basic Information
| ChEMBL ID | CHEMBL4451402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCPZWZZBXOFMHX-IBGZPJMESA-N |
1
Targets
5
Activities
3
Assay Types
5
PK Parameters
6
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 7.26
Kd 1 meas. best 9.06
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | Kd | 9.06 | 9.06 | 0.9 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.26 | 7.12 | 55.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 220.0 | ng.hr.mL-1 | Mus musculus |
| CL | 5.333 | mL.min-1.kg-1 | Mus musculus |
| Fu | 0.22 | - | Mus musculus |
| Fu | 0.075 | - | Homo sapiens |
| T1/2 | 1.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | Kd | = | 0.88 | nM | 9.06 | Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrol... | 31725285 |
| Methionine aminopeptidase 2 | Ki | = | 0.9 | nM | 9.05 | Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrol... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 91.0 | 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 | 13 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 2 | 7 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | No relevant target | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Unchecked | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | CAKI-1 | 1 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine