Compound Detail
CHEMBL513922
EMAPUNIL 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL513922 |
| Name | EMAPUNIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NBMBIEOUVBHEBM-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
401.5
MW (Da)
2.85
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Translocator protein agonist | AGONIST | Translocator protein | ✓ | ✓ |
Indications
Anxiety
Activity Summary
Ki 4 meas. best 9.7
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.7 | 9.46 | 0.2 | 2 |
| Translocator protein CHEMBL5742 | Ki | 8.19 | 7.845 | 6.4 | 2 |
| HEK-293T CHEMBL3706568 | IC50 | 4.58 | 4.555 | 26200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.2 | nM | 9.7 | Displacement of [11C]PK11195 from PBR receptor in rat brain membrane | 19217778 |
| Translocator protein | Ki | = | 0.6 | nM | 9.22 | Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate ... | 21790126 |
| Translocator protein | Ki | = | 6.4 | nM | 8.19 | Displacement of [3H]PK11195 from human wild type TSPO expressed in HEK293T cell ... | 30108706 |
| Translocator protein | Ki | = | 31.3 | nM | 7.5 | Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293T ce... | 30108706 |
| HEK-293T | IC50 | = | 26200.0 | nM | 4.58 | Cytotoxicity against HEK293T cells expressing human TSPO A147T mutant assessed a... | 30108706 |
| HEK-293T | IC50 | = | 29500.0 | nM | 4.53 | Cytotoxicity against HEK293T cells expressing human wild type TSPO assessed as d... | 30108706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108706 | 10.1039/C6MD00523C | HEK-293T | 4 |
| 21916402 | 10.1021/jm200770f | Mus musculus | 3 |
| 30108706 | 10.1039/C6MD00523C | Translocator protein | 3 |
| 30108706 | 10.1039/C6MD00523C | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19217778 | 10.1016/j.bmcl.2009.01.093 | Translocator protein | 1 |
| 19217778 | 10.1016/j.bmcl.2009.01.093 | Unchecked | 1 |
| 19217778 | 10.1016/j.bmcl.2009.01.093 | No relevant target | 1 |
| 21790126 | 10.1021/jm200516a | No relevant target | 1 |
| 21790126 | 10.1021/jm200516a | Translocator protein | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine