Compound Detail
CHEMBL595047
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
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL595047 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BVYJHUNIDYEALI-YTEPHYKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1986.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 CHEMBL2109237 | IC50 | 9.02 | 9.02 | 0.9 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL2109234 | IC50 | 7.13 | 7.13 | 74.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 | IC50 | = | 0.95 | nM | 9.02 | Inhibition of alpha6beta2 nAChR | 19628399 |
| Neuronal acetylcholine receptor; alpha3/beta2 | IC50 | = | 74.2 | nM | 7.13 | Inhibition of alpha3beta2 nAChR | 19628399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19628399 | 10.1016/j.bmc.2009.07.005 | Unchecked | 2 |
| 19628399 | 10.1016/j.bmc.2009.07.005 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 19628399 | 10.1016/j.bmc.2009.07.005 | Neuronal acetylcholine receptor; alpha6/beta2 | 1 |
Data from ChEMBL 36 via Core Engine