Compound Detail
CHEMBL5465172
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O=C1NCCCC1N1Cc2cc(C3CCN(C(=O)CCCCCN4CCC(c5ccc(Oc6nn7cnnc7c7c6CCCC7)cc5)CC4)CC3)ccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL5465172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMHDKCMDVMZRMD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
759.0
MW (Da)
6.18
ALogP
9
HBA
1
HBD
125.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 8.24 | 7.295 | 5.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 5.7 | nM | 8.24 | METAP2 biochemical assay (human) | - |
| Methionine aminopeptidase 2 | IC50 | = | 450.0 | nM | 6.35 | 2D HUVEC cells proliferation assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5463725 | Methionine aminopeptidase 2 | 4 |
| - | 10.6019/CHEMBL5463725 | D(2) dopamine receptor | 2 |
| - | 10.6019/CHEMBL5463725 | GABA-A receptor; anion channel | 2 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase Lck | 2 |
| - | 10.6019/CHEMBL5463725 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL5463725 | Hepatocyte growth factor receptor | 1 |
| - | 10.6019/CHEMBL5463725 | Serine/threonine-protein kinase Sgk3 | 1 |
| - | 10.6019/CHEMBL5463725 | RAC-beta serine/threonine-protein kinase | 1 |
| - | 10.6019/CHEMBL5463725 | Beta-adrenergic receptor kinase 1 | 1 |
| - | 10.6019/CHEMBL5463725 | Death-associated protein kinase 3 | 1 |
| - | 10.6019/CHEMBL5463725 | MAP kinase-activated protein kinase 2 | 1 |
| - | 10.6019/CHEMBL5463725 | Dual specificity protein kinase CLK1 | 1 |
| - | 10.6019/CHEMBL5463725 | Vasopressin V1a receptor | 1 |
| - | 10.6019/CHEMBL5463725 | Cyclin-dependent kinase-like 2 | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase Mer | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase HCK | 1 |
| - | 10.6019/CHEMBL5463725 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 1 |
| - | 10.6019/CHEMBL5463725 | Tyrosine-protein kinase SYK | 1 |
| - | 10.6019/CHEMBL5463725 | PAS domain-containing serine/threonine-protein kinase | 1 |
| - | 10.6019/CHEMBL5463725 | Serine/threonine-protein kinase haspin | 1 |
Data from ChEMBL 36 via Core Engine