Compound Detail
CHEMBL595573
MK-0557 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL595573 |
| Name | MK-0557 |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | RMYZIRFUCOMQRH-CAJLXGCNSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
20
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
406.4
MW (Da)
3.60
ALogP
6
HBA
1
HBD
86.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Neuropeptide Y receptor type 5 antagonist | ANTAGONIST | Neuropeptide Y receptor type 5 | ✓ | ✓ |
Indications
Obesity Schizophrenia
Activity Summary
IC50 3 meas. best 8.9
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 8.9 | 8.895 | 1.3 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL2548 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.45 | 5.45 | 3566.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 1.259 | nM | 8.9 | Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assesse... | 20951033 |
| Neuropeptide Y receptor type 5 | IC50 | = | 1.3 | nM | 8.89 | Displacement of [125I]PYY from human recombinant Y5 receptor | 19720539 |
| Neuropeptide Y receptor type 5 | Ki | = | 1.6 | nM | 8.8 | Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in ins... | 22445286 |
| Neuropeptide Y receptor type 5 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of rat Y5 receptor | 19720539 |
| D(3) dopamine receptor | Ki | = | 3566.15 | nM | 5.45 | PDSP Secondary Binding target: DRD3 - Compounds are tested at 10 uM concentratio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724696 | U2OS | 24 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | Rattus norvegicus | 7 |
| 22445286 | 10.1016/j.bmcl.2012.02.098 | Liver microsomes | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | Neuropeptide Y receptor type 5 | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | LLC-PK1 | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine