Compound Detail
CHEMBL4454587
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NCCCNC(=O)c1cc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4)C3=O)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL4454587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEFMYAUTOXJRLT-DEOSSOPVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.9
MW (Da)
1.82
ALogP
5
HBA
5
HBD
140.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.47 | 7.2133 | 34.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues)... | 31725285 |
| Methionine aminopeptidase 2 | IC50 | = | 34.0 | nM | 7.47 | Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... | - |
| Methionine aminopeptidase 2 | IC50 | = | 200.0 | nM | 6.7 | 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 | Methionine aminopeptidase 2 | 2 |
| 31725285 | 10.1021/acs.jmedchem.9b01070 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine