Compound Detail
CHEMBL4635540
GSK791 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
Cc1cc2c(-c3ccco3)cnc(N[C@H]3CCN(C)C[C@@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL4635540 |
| Name | GSK791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDEORODKVUYMFQ-SFTDATJTSA-N |
5
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
3.67
ALogP
6
HBA
3
HBD
103.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.8
Ki 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.8 | 5.15 | 1584.9 | 2 |
| Bromodomain-containing protein 2 CHEMBL1293289 | IC50 | 5.6 | 5.2 | 2511.9 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.6 | 5.595 | 2511.9 | 2 |
| Bromodomain-containing protein 3 CHEMBL1795186 | IC50 | 5.4 | 5.05 | 3981.1 | 2 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 5.2 | 5.15 | 6309.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1584.89 | nM | 5.8 | BET mutant TR-FRET assay (BRD4 BD1) | - |
| Bromodomain-containing protein 2 | IC50 | = | 2511.89 | nM | 5.6 | BET mutant TR-FRET assay (BRD2 BD1) | - |
| GABA-A receptor; anion channel | Ki | = | 2511.89 | nM | 5.6 | GPCRScan assay: inhibition of GABAA/BZP | - |
| GABA-A receptor; anion channel | Ki | = | 2539.22 | nM | 5.59 | GPCRScan assay: inhibition of GABAA/BZP | - |
| Bromodomain-containing protein 3 | IC50 | = | 3981.07 | nM | 5.4 | BET mutant TR-FRETassay (BRD3 BD1) | - |
| Bromodomain testis-specific protein | IC50 | = | 6309.57 | nM | 5.2 | BET mutant TR-FRET assay (BRDT BD1) | - |
| Bromodomain testis-specific protein | IC50 | = | 7943.28 | nM | 5.1 | BET mutant TR-FRET assay (BRDT BD2) | - |
| Bromodomain-containing protein 2 | IC50 | = | 15848.93 | nM | 4.8 | BET mutant TR-FRET assay (BRD2 BD2) | - |
| Bromodomain-containing protein 3 | IC50 | = | 19952.62 | nM | 4.7 | BET mutant TR-FRET assay (BRD3 BD2) | - |
| Bromodomain-containing protein 4 | IC50 | = | 31622.78 | nM | 4.5 | BET mutant TR-FRET assay (BRD4 BD2) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4630905 | GABA-A receptor; anion channel | 4 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| - | 10.6019/CHEMBL4630905 | Bromodomain-containing protein 3 | 2 |
| - | 10.6019/CHEMBL5303304 | U2OS | 2 |
| - | 10.6019/CHEMBL4630905 | Bromodomain testis-specific protein | 2 |
| - | 10.6019/CHEMBL4630905 | Bromodomain-containing protein 4 | 2 |
| - | 10.6019/CHEMBL4630905 | Bromodomain-containing protein 2 | 2 |
| - | 10.6019/CHEMBL4630905 | D(4) dopamine receptor | 1 |
| - | 10.6019/CHEMBL4630905 | Unchecked | 1 |
| - | 10.6019/CHEMBL4630905 | Sodium-dependent dopamine transporter | 1 |
| - | 10.6019/CHEMBL4630905 | Histamine H4 receptor | 1 |
| - | 10.6019/CHEMBL4630905 | Kappa-type opioid receptor | 1 |
| - | 10.6019/CHEMBL4630905 | Mu-type opioid receptor | 1 |
| - | 10.1021/acschembio.2c00877 | Colon organoid | 1 |
| - | 10.6019/CHEMBL4630905 | Beta-1 adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4630905 | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine