Compound Detail
CHEMBL3104245
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@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](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)C)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL3104245 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XYNXUMFICNCKEN-LBSPCVAOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
1489.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | IC50 | 8.44 | 8.17 | 3.6 | 2 |
| Nicotinic acetylcholine receptor alpha6/alpha3/beta4 CHEMBL3137276 | IC50 | 7.47 | 7.25 | 34.0 | 2 |
| Neuronal acetylcholine receptor; alpha2/beta4 CHEMBL1907590 | IC50 | 5.34 | 5.34 | 4550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24200193 | 10.1021/jm401254c | Unchecked | 10 |
| 24200193 | 10.1021/jm401254c | Nicotinic acetylcholine receptor alpha9/alpha10 | 2 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha4/beta4 | 2 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha3/beta2 | 2 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 24200193 | 10.1021/jm401254c | Nicotinic acetylcholine receptor alpha1/beta1/epsilon/delta | 1 |
| 24200193 | 10.1021/jm401254c | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 1 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha2/beta4 | 1 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 24200193 | 10.1021/jm401254c | Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 | 1 |
| 24200193 | 10.1021/jm401254c | Neuronal acetylcholine receptor; alpha2/beta2 | 1 |
| 30252466 | 10.1021/acs.jmedchem.8b00967 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 30252466 | 10.1021/acs.jmedchem.8b00967 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 1 |
| 30252466 | 10.1021/acs.jmedchem.8b00967 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine