Compound Detail
CHEMBL386114
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
C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL386114 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GWMPLPRCVNXVGX-DCVARKJOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1252.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-9 CHEMBL2184 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range ... | 16033252 |
| Neuronal acetylcholine receptor subunit alpha-9 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha9; Range ... | 16033252 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta4; ... | 16033252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-9 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine