Compound Detail
CHEMBL5570016
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL5570016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGMXUPVWRQVUKG-ONTXGEKHSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
2441.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.44 | 7.945 | 3.6 | 4 |
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Neuronal acetylcholine receptor; alpha9/alpha10 CHEMBL2109238 | IC50 | 8.3 | 7.945 | 5.0 | 2 |
| Nicotinic acetylcholine receptor alpha9/alpha10 CHEMBL3038462 | IC50 | 7.74 | 7.74 | 18.3 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 7.36 | 7.36 | 43.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Unchecked | 10 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Neuronal acetylcholine receptor; alpha9/alpha10 | 6 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Rattus norvegicus | 6 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Neuronal acetylcholine receptor subunit alpha-7 | 5 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Voltage-dependent N-type calcium channel subunit alpha-1B | 5 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | ADMET | 4 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Neuronal acetylcholine receptor; alpha3/beta2 | 3 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Sodium channel protein type 9 subunit alpha | 1 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Sodium channel protein type 10 subunit alpha | 1 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | 1 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Potassium voltage-gated channel subfamily KQT member 3 | 1 |
| 38217860 | 10.1021/acs.jmedchem.3c00979 | Acid-sensing ion channel 3 | 1 |
Data from ChEMBL 36 via Core Engine