Compound Detail
CHEMBL4872191
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CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)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 | CHEMBL4872191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFBDKMSGGGCNAI-WVHVKVEVSA-N |
11
Targets
11
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
1764.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.5
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Unchecked | 21 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 9 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha2/beta2 | 4 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha2/beta4 | 4 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha4/beta2 | 4 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha3/beta2 | 2 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha4/beta4 | 2 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor subunit alpha-6/alpha-3 | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
Data from ChEMBL 36 via Core Engine