Compound Detail
CHEMBL4637208
GSK973 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 | CHEMBL4637208 |
| Name | GSK973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZQLVEPIBAOOGF-RMMWZPCPSA-N |
33
Targets
63
Activities
3
Assay Types
3
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
Kd 43 meas. best 8.7
IC50 14 meas. best 7.8
Ki 6 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Kd | 8.7 | 7.214 | 2.0 | 5 |
| Bromodomain-containing protein 3 CHEMBL1795186 | Kd | 8.5 | 6.85 | 3.2 | 4 |
| Bromodomain-containing protein 2 CHEMBL1293289 | Kd | 8.3 | 6.8 | 5.0 | 4 |
| Bromodomain testis-specific protein CHEMBL1795185 | Kd | 8.3 | 6.85 | 5.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 7.8 | 6.6 | 15.8 | 3 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.8 | 6.52 | 15.8 | 5 |
| Bromodomain-containing protein 3 CHEMBL1795186 | IC50 | 7.8 | 6.15 | 15.8 | 2 |
| Bromodomain-containing protein 2 CHEMBL1293289 | IC50 | 7.5 | 5.95 | 31.6 | 2 |
| C-C motif chemokine 2 CHEMBL1649052 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.59 | 6.59 | 257.0 | 2 |
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | Kd | 6.4 | 6.4 | 398.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.09 | 6.05 | 812.8 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.03 | 6.02 | 933.2 | 2 |
| Transcription initiation factor TFIID subunit 1-like CHEMBL3108641 | Kd | 5.7 | 5.7 | 1995.3 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 5.7 | 5.7 | 1995.3 | 1 |
| Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
| Chromatin remodeling regulator CECR2 CHEMBL3108639 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | Kd | 5.1 | 5.1 | 7943.3 | 1 |
| Protein polybromo-1 CHEMBL1795184 | Kd | 5.0 | 4.85 | 10000.0 | 2 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 4.8 | 4.8 | 15848.9 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 4.8 | 4.8 | 15848.9 | 1 |
| Histone acetyltransferase KAT2A CHEMBL5501 | Kd | 4.7 | 4.7 | 19952.6 | 1 |
| CREB-binding protein CHEMBL5747 | Kd | 4.6 | 4.6 | 25118.9 | 1 |
| Peregrin CHEMBL3132741 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 4.5 | 4.5 | 31622.8 | 1 |
| Histone acetyltransferase KAT2B CHEMBL5500 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain-containing protein 8 CHEMBL3588731 | Kd | 4.5 | 4.5 | 31622.8 | 2 |
| Bromodomain and WD repeat-containing protein 1 CHEMBL3351192 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| ATPase family AAA domain-containing protein 2 CHEMBL2150837 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain and PHD finger-containing protein 3 CHEMBL3108644 | 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 |
| ATPase family AAA domain-containing protein 2B CHEMBL2176775 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Transcription intermediary factor 1-alpha CHEMBL3108638 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 4.5 | 4.5 | 31622.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 180.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.8 | mL.min-1.g-1 | Rattus norvegicus |
| F | 48.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4630902 | Bromodomain-containing protein 4 | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.6019/CHEMBL4630902 | Bromodomain-containing protein 2 | 6 |
| - | 10.6019/CHEMBL4630902 | Bromodomain-containing protein 3 | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| - | 10.6019/CHEMBL4630902 | Bromodomain testis-specific protein | 5 |
| 34255512 | 10.1021/acs.jmedchem.1c00365 | ADMET | 4 |
| - | 10.6019/CHEMBL4630902 | D(2) dopamine receptor | 3 |
| - | 10.6019/CHEMBL4630902 | Unchecked | 3 |
| 34260229 | 10.1021/acs.jmedchem.1c00344 | No relevant target | 3 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 3 |
| - | 10.6019/CHEMBL4630902 | D(3) dopamine receptor | 3 |
| - | 10.6019/CHEMBL4630902 | D(4) dopamine receptor | 3 |
| 34255512 | 10.1021/acs.jmedchem.1c00365 | No relevant target | 3 |
| - | 10.6019/CHEMBL5608109 | Hepatocyte spheroids | 2 |
| 34255512 | 10.1021/acs.jmedchem.1c00365 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine