Compound Detail
CHEMBL4870282
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CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)CCCCCNC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL4870282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZUAHAJHTJHMBK-MGBGTMOVSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
640.9
MW (Da)
6.97
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas. best 5.61
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | Kd | 5.61 | 5.61 | 2470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | Kd | = | 2470.0 | nM | 5.61 | Binding affinity to chip-immobilized recombinant human SIRT5 measured after 300 ... | 34364223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34364223 | 10.1016/j.bmc.2021.116328 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 3 |
Data from ChEMBL 36 via Core Engine