Compound Detail
CHEMBL5084439
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Basic Information
| ChEMBL ID | CHEMBL5084439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYNLKRBYUMMJKS-GJZGRUSLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
0.21
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATPase family AAA domain-containing protein 2 CHEMBL2150837 | IC50 | 4.5 | 4.48 | 31622.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATPase family AAA domain-containing protein 2 | IC50 | = | 31622.78 | nM | 4.5 | Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in ... | 35133824 |
| ATPase family AAA domain-containing protein 2 | IC50 | = | 34300.0 | nM | 4.46 | Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in ... | 35133824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35133824 | 10.1021/acs.jmedchem.1c01871 | ATPase family AAA domain-containing protein 2 | 3 |
| 35133824 | 10.1021/acs.jmedchem.1c01871 | Bromodomain-containing protein 4 | 1 |
| 35133824 | 10.1021/acs.jmedchem.1c01871 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine