Compound Detail
CHEMBL4454928
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)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(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4454928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVTMEGQWQQUDIH-DCAYLYCYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1702.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 CHEMBL3137275 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL1907587 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Nicotinic acetylcholine receptor alpha6/alpha3/beta4 CHEMBL3137285 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Nicotinic acetylcholine receptor alpha6/alpha3/beta4 CHEMBL3137276 | IC50 | 7.74 | 7.74 | 18.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 6 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Neuronal acetylcholine receptor; alpha3/beta2 | 2 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 | 2 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine