Compound Detail
CHEMBL4091790
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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4091790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOFISAQILJQSAW-BXHYZMNOSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1225.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Kd 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | Kd | 11.0 | 11.0 | 0.0 | 1 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | Kd | = | 0.01 | nM | 11.0 | Binding affinity to human N-terminal biotinylated SIRT5 by surface plasmon reson... | 29494161 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 30.3 | nM | 7.52 | Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Esch... | 29494161 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 30.0 | nM | 7.52 | Inhibition of SIRT5 (unknown origin) | 37643500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29494161 | 10.1021/acs.jmedchem.7b01648 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 2 |
| 29494161 | 10.1021/acs.jmedchem.7b01648 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 29494161 | 10.1021/acs.jmedchem.7b01648 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 29494161 | 10.1021/acs.jmedchem.7b01648 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 29494161 | 10.1021/acs.jmedchem.7b01648 | NAD-dependent protein deacylase sirtuin-6 | 1 |
| 37643500 | 10.1016/j.bmc.2023.117455 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine