Compound Detail
CHEMBL5465171
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O=C1CCC(N2Cc3cc(C4CCN(C(=O)CCCCCN5CCC(c6ccc(Oc7nn8cnnc8c8c7CCCC8)cc6)CC5)CC4)ccc3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5465171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLNCBKSDCCIOPT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
773.0
MW (Da)
5.70
ALogP
10
HBA
1
HBD
142.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 8.24 | 8.08 | 5.8 | 2 |
| Methionine aminopeptidase 2 CHEMBL1075272 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 5.8 | nM | 8.24 | METAP2 biochemical assay (human) | - |
| Methionine aminopeptidase 2 | IC50 | = | 5.9 | nM | 8.23 | METAP2 biochemical assay (mouse) | - |
| Methionine aminopeptidase 2 | IC50 | = | 12.0 | nM | 7.92 | 2D HUVEC cells proliferation assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5463725 | Methionine aminopeptidase 2 | 7 |
| - | 10.6019/CHEMBL5463725 | D(2) dopamine receptor | 2 |
| - | 10.6019/CHEMBL5463725 | GABA-A receptor; anion channel | 2 |
| - | 10.6019/CHEMBL5463725 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL5463725 | Serine/threonine-protein kinase pim-2 | 1 |
| - | 10.6019/CHEMBL5463725 | Beta-adrenergic receptor kinase 1 | 1 |
| - | 10.6019/CHEMBL5463725 | Serine/threonine-protein kinase tousled-like 1 | 1 |
| - | 10.6019/CHEMBL5463725 | TGF-beta receptor type-2 | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase HCK | 1 |
| - | 10.6019/CHEMBL5463725 | Dual specificity protein kinase CLK1 | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase Blk | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase Lck | 1 |
| - | 10.6019/CHEMBL5463725 | Vasopressin V1a receptor | 1 |
| - | 10.6019/CHEMBL5463725 | Serine/threonine-protein kinase Sgk2 | 1 |
| - | 10.6019/CHEMBL5463725 | eIF-2-alpha kinase GCN2 | 1 |
| - | 10.6019/CHEMBL5463725 | Ribosomal protein S6 kinase alpha-5 | 1 |
| - | 10.6019/CHEMBL5463725 | Megakaryocyte-associated tyrosine-protein kinase | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase JAK2 | 1 |
| - | 10.6019/CHEMBL5463725 | Hepatocyte growth factor receptor | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine