Compound Detail
CHEMBL4638939
GSK943 Enter ChEMBL ID:
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CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1O[C@@H](CF)[C@@H]2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4638939 |
| Name | GSK943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZQLVEPIBAOOGF-PXTPFGJHSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
2.28
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Ki 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.33 | 6.325 | 473.1 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.1 | 4.7 | 7943.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 473.15 | nM | 6.33 | GPCRScan assay: inhibition of GABAA/BZP | - |
| GABA-A receptor; anion channel | Ki | = | 473.91 | nM | 6.32 | GPCRScan assay: inhibition of GABAA/BZP | - |
| Bromodomain-containing protein 4 | IC50 | = | 7943.28 | nM | 5.1 | BET mutant TR-FRET assay (BRD4 BD2) | - |
| Bromodomain-containing protein 4 | IC50 | = | 50118.72 | nM | 4.3 | BET mutant TR-FRET assay (BRD4 BD1) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 9 |
| - | 10.6019/CHEMBL5303304 | U2OS | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| - | 10.6019/CHEMBL4630902 | GABA-A receptor; anion channel | 4 |
| - | 10.6019/CHEMBL4630902 | Bromodomain-containing protein 4 | 2 |
| - | 10.6019/CHEMBL4630902 | Muscarinic acetylcholine receptor M2 | 1 |
| - | 10.1021/acschembio.2c00877 | Colon organoid | 1 |
| - | 10.6019/CHEMBL4630902 | Alpha-1B adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4630902 | Muscarinic acetylcholine receptor M5 | 1 |
| - | 10.6019/CHEMBL4630902 | Muscarinic acetylcholine receptor M4 | 1 |
| - | 10.6019/CHEMBL4630902 | Muscarinic acetylcholine receptor M3 | 1 |
| - | 10.6019/CHEMBL4630902 | Histamine H3 receptor | 1 |
| - | 10.6019/CHEMBL4630902 | Histamine H2 receptor | 1 |
| - | 10.6019/CHEMBL4630902 | Delta-type opioid receptor | 1 |
| - | 10.6019/CHEMBL4630902 | Beta-2 adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4630902 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine