Compound Detail
CHEMBL4204149
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4204149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSHLVPHPAJFVPY-IXSVIWPTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1531.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 320.0 | nM | 6.5 | Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes... | 30252466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30252466 | 10.1021/acs.jmedchem.8b00967 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 2 |
| 30252466 | 10.1021/acs.jmedchem.8b00967 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 30252466 | 10.1021/acs.jmedchem.8b00967 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine