Compound Detail
CHEMBL411146
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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C=O)CCCN=C(N)N
Basic Information
| ChEMBL ID | CHEMBL411146 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UBFPRQOOAXMTBD-JQRIEUKHSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1826.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta4 CHEMBL1907591 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuronal acetylcholine receptor; alpha2/beta4 CHEMBL2109230 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL2109234 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuronal acetylcholine receptor; alpha2/beta2 CHEMBL2109236 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.82 | 8.82 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033252 | 10.1021/jm040219e | Unchecked | 2 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha2/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha2/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine