Compound Detail
CHEMBL3104239
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](CO)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 | CHEMBL3104239 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VVDRDHLUVVGURR-LWMCYQQMSA-N |
9
Targets
21
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1651.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 21 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha6/alpha3/beta4 CHEMBL3137285 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Nicotinic acetylcholine receptor alpha9/alpha10 CHEMBL3038462 | IC50 | 8.16 | 7.9467 | 6.9 | 3 |
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL1907587 | IC50 | 8.01 | 7.7867 | 9.7 | 3 |
| Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 CHEMBL3137275 | IC50 | 7.96 | 7.83 | 11.1 | 2 |
| Neuronal acetylcholine receptor; alpha9/alpha10 CHEMBL2109238 | IC50 | 7.66 | 7.66 | 21.9 | 1 |
| Nicotinic acetylcholine receptor alpha6/alpha3/beta4 CHEMBL3137276 | IC50 | 6.89 | 6.86 | 130.0 | 2 |
| Neuronal acetylcholine receptor subunit alpha-6/beta-4 CHEMBL4523607 | IC50 | 6.89 | 6.77 | 130.0 | 2 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | IC50 | 6.32 | 5.94 | 480.0 | 4 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | IC50 | 5.75 | 5.75 | 1800.0 | 3 |
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 | 7 |
| 32101438 | 10.1021/acs.jmedchem.9b01536 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor subunit alpha-6/alpha-3 | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Unchecked | 1 |
| 33523678 | 10.1021/acs.jmedchem.0c01973 | Neuronal acetylcholine receptor subunit alpha-6/beta-4 | 1 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Neuronal acetylcholine receptor subunit alpha-6/beta-4 | 1 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Unchecked | 1 |
| 31194549 | 10.1021/acs.jmedchem.9b00566 | Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 | 1 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 32101438 | 10.1021/acs.jmedchem.9b01536 | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
| 32101438 | 10.1021/acs.jmedchem.9b01536 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
| 28603989 | 10.1021/acs.jmedchem.7b00546 | Unchecked | 1 |
| 28603989 | 10.1021/acs.jmedchem.7b00546 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 1 |
| 28603989 | 10.1021/acs.jmedchem.7b00546 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 24200193 | 10.1021/jm401254c | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
Data from ChEMBL 36 via Core Engine