Compound Detail
CHEMBL4847170
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](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CC#CC[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](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4847170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSRMCPVTOJHMJM-LARGJRDBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1766.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | IC50 | = | 13.0 | nM | 7.89 | Agonist activity at human GABAB expressed in HEK293T cells co-transfected with h... | 33724033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33724033 | 10.1021/acs.jmedchem.0c02151 | Rattus norvegicus | 6 |
| 33724033 | 10.1021/acs.jmedchem.0c02151 | GABA-B receptor | 4 |
| 33724033 | 10.1021/acs.jmedchem.0c02151 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 33724033 | 10.1021/acs.jmedchem.0c02151 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
| 33724033 | 10.1021/acs.jmedchem.0c02151 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
Data from ChEMBL 36 via Core Engine