Compound Detail
CHEMBL594330
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CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)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)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL594330 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FLAHTCIVXKKZAR-LWMCYQQMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1658.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 CHEMBL2109237 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL2109234 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 | IC50 | = | 0.16 | nM | 9.8 | Inhibition of alpha6beta2 nAChR | 19628399 |
| Neuronal acetylcholine receptor; alpha3/beta2 | IC50 | = | 8.72 | nM | 8.06 | Inhibition of alpha3beta2 nAChR | 19628399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19628399 | 10.1016/j.bmc.2009.07.005 | Unchecked | 4 |
| 19628399 | 10.1016/j.bmc.2009.07.005 | Neuronal acetylcholine receptor; alpha6/beta2 | 1 |
| 19628399 | 10.1016/j.bmc.2009.07.005 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
Data from ChEMBL 36 via Core Engine