Compound Detail
CHEMBL3104238
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL3104238 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WINQUAHGULGZED-YTEPHYKOSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1981.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 CHEMBL2109233 | IC50 | 9.02 | 9.02 | 0.9 | 1 |
| Nicotinic acetylcholine receptor alpha6/alpha3/beta4 CHEMBL3137276 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Nicotinic acetylcholine receptor alpha6/alpha3/beta4 CHEMBL3137285 | IC50 | 7.52 | 7.52 | 30.5 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL2109234 | IC50 | 7.13 | 7.13 | 74.2 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | IC50 | 6.29 | 6.29 | 518.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 6.29 | 6.29 | 518.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 24200193 | 10.1021/jm401254c | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 1 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 | 1 |
| 28603989 | 10.1021/acs.jmedchem.7b00546 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 28603989 | 10.1021/acs.jmedchem.7b00546 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 1 |
| 28603989 | 10.1021/acs.jmedchem.7b00546 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine