Compound Detail
CHEMBL5532358
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CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5532358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLQCKGJDENITHK-FCNDXCBGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1344.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATPase family AAA domain-containing protein 2 CHEMBL2150837 | Kd | 4.89 | 4.89 | 12900.0 | 1 |
| ATPase family AAA domain-containing protein 2B CHEMBL2176775 | Kd | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATPase family AAA domain-containing protein 2 | Kd | = | 12900.0 | nM | 4.89 | Binding affinity to human ATAD2 BRD assessed as dissociation constant by isother... | 38733345 |
| ATPase family AAA domain-containing protein 2B | Kd | = | 19400.0 | nM | 4.71 | Binding affinity to human ATAD2B BRD assessed as dissociation constant by isothe... | 38733345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733345 | 10.1021/acs.jmedchem.4c00210 | ATPase family AAA domain-containing protein 2 | 1 |
| 38733345 | 10.1021/acs.jmedchem.4c00210 | ATPase family AAA domain-containing protein 2B | 1 |
Data from ChEMBL 36 via Core Engine