Compound Detail
CHEMBL476323
MK-0249 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL476323 |
| Name | MK-0249 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DDDZBLNULGDPGA-UHFFFAOYSA-N |
4
Targets
11
Activities
3
Assay Types
16
PK Parameters
20
Publications
2
Known Names
5
Indications
1
Mechanisms
Molecular Properties
431.5
MW (Da)
4.58
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Histamine H3 receptor inverse agonist | INVERSE AGONIST | Histamine H3 receptor | ✓ | ✓ |
Indications
Alzheimer Disease Attention Deficit Disorder with Hyperactivity Schizophrenia Sleep Apnea, Obstructive Dementia
Activity Summary
Ki 8 meas. best 9.28
IC50 2 meas. best 8.77
Kd 1 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.28 | 8.6317 | 0.5 | 6 |
| Histamine H3 receptor CHEMBL264 | Kd | 9.2 | 9.2 | 0.6 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Histamine receptor H3 CHEMBL5299 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2739.77 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5091.23 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 793.89 | ng.hr.mL-1 | Macaca mulatta |
| CL | 7.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 12.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 19.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 18.0 | mL.min-1.kg-1 | Macaca mulatta |
| Cmax | 1010.0 | nM | Rattus norvegicus |
| Cmax | 1800.0 | nM | Canis lupus familiaris |
| Cmax | 440.0 | nM | Macaca mulatta |
| F | 65.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| F | 28.0 | % | Macaca mulatta |
| T1/2 | 5.5 | hr | Rattus norvegicus |
| T1/2 | 9.9 | hr | Canis lupus familiaris |
| T1/2 | 5.4 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine