Compound Detail
CHEMBL1761322
MK-0736 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1761322 |
| Name | MK-0736 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ORQZQBUNAMJFCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
7
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
469.6
MW (Da)
5.31
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 inhibitor | INHIBITOR | 11-beta-hydroxysteroid dehydrogenase 1 | ✓ | ✓ |
Indications
Hypertension Peripheral Vascular Diseases
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24294985 | 10.1021/jm4014746 | Homo sapiens | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | Mus musculus | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Rattus norvegicus | 2 |
| 24422550 | 10.1021/jm4016729 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine