Compound Detail
CHEMBL4648362
GSK789 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 | CHEMBL4648362 |
| Name | GSK789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDEORODKVUYMFQ-NHCUHLMSSA-N |
37
Targets
101
Activities
3
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
Kd 69 meas. best 8.4
IC50 30 meas. best 7.7
Ki 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 2 CHEMBL1293289 | Kd | 8.4 | 6.7125 | 4.0 | 8 |
| Bromodomain-containing protein 3 CHEMBL1795186 | Kd | 8.4 | 6.47 | 4.0 | 10 |
| Bromodomain-containing protein 4 CHEMBL1163125 | Kd | 8.2 | 6.625 | 6.3 | 8 |
| Bromodomain testis-specific protein CHEMBL1795185 | Kd | 8.0 | 6.6889 | 10.0 | 9 |
| C-C motif chemokine 2 CHEMBL1649052 | IC50 | 7.7 | 6.935 | 19.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.51 | 5.9838 | 31.0 | 8 |
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | Kd | 7.3 | 7.3 | 50.1 | 2 |
| Bromodomain-containing protein 2 CHEMBL1293289 | IC50 | 7.0 | 5.85 | 100.0 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 6.9 | 6.9 | 124.6 | 2 |
| THP-1 CHEMBL614245 | IC50 | 6.8 | 6.695 | 158.0 | 2 |
| Bromodomain-containing protein 3 CHEMBL1795186 | IC50 | 6.8 | 5.75 | 158.5 | 2 |
| Blood CHEMBL613416 | IC50 | 6.5 | 6.045 | 316.2 | 4 |
| HL-60 CHEMBL383 | IC50 | 6.41 | 6.41 | 390.0 | 2 |
| Transcription initiation factor TFIID subunit 1-like CHEMBL3108641 | Kd | 6.4 | 6.4 | 398.1 | 2 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 6.2 | 5.55 | 631.0 | 2 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.0 | 5.995 | 1011.6 | 2 |
| Interleukin-6 CHEMBL1795129 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Protein polybromo-1 CHEMBL1795184 | Kd | 5.0 | 4.8333 | 10000.0 | 3 |
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642 | Kd | 4.8 | 4.8 | 15848.9 | 2 |
| ATPase family AAA domain-containing protein 2 CHEMBL2150837 | Kd | 4.8 | 4.8 | 15848.9 | 2 |
| ATPase family AAA domain-containing protein 2B CHEMBL2176775 | Kd | 4.8 | 4.8 | 15848.9 | 2 |
| Transcription intermediary factor 1-alpha CHEMBL3108638 | Kd | 4.7 | 4.6333 | 19952.6 | 3 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Kd | 4.6 | 4.6 | 25118.9 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | Kd | 4.6 | 4.6 | 25118.9 | 1 |
| Bromodomain-containing protein 8 CHEMBL3588731 | Kd | 4.5 | 4.5 | 31622.8 | 2 |
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| E3 ubiquitin-protein ligase TRIM33 CHEMBL2176772 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain-containing protein 1 CHEMBL2176774 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| CREB-binding protein CHEMBL5747 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Histone acetyltransferase KAT2A CHEMBL5501 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain and WD repeat-containing protein 1 CHEMBL3351192 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Peregrin CHEMBL3132741 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain and PHD finger-containing protein 3 CHEMBL3108644 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Chromatin remodeling regulator CECR2 CHEMBL3108639 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32691589 | 10.1021/acs.jmedchem.0c00614 | Unchecked | 22 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4630905 | Bromodomain testis-specific protein | 9 |
| - | 10.6019/CHEMBL4630905 | Bromodomain-containing protein 4 | 8 |
| - | 10.6019/CHEMBL4630905 | Bromodomain-containing protein 3 | 8 |
| - | 10.6019/CHEMBL4630905 | Bromodomain-containing protein 2 | 8 |
| 32691589 | 10.1021/acs.jmedchem.0c00614 | Bromodomain-containing protein 4 | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| 38876176 | 10.1016/j.bmcl.2024.129848 | Bromodomain-containing protein 4 | 5 |
| 32691589 | 10.1021/acs.jmedchem.0c00614 | Bromodomain testis-specific protein | 4 |
| 32691589 | 10.1021/acs.jmedchem.0c00614 | Blood | 4 |
| 32691589 | 10.1021/acs.jmedchem.0c00614 | Bromodomain-containing protein 3 | 4 |
| 32691589 | 10.1021/acs.jmedchem.0c00614 | Bromodomain-containing protein 2 | 4 |
| - | 10.6019/CHEMBL4630905 | D(4) dopamine receptor | 3 |
| 32691589 | 10.1021/acs.jmedchem.0c00614 | Transcription initiation factor TFIID subunit 1 | 3 |
| 32691589 | 10.1021/acs.jmedchem.0c00614 | ADMET | 3 |
| - | 10.6019/CHEMBL4630905 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine