Compound Detail
CHEMBL4100475
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Cc1noc(C)c1CCS[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)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)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4100475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHSLOUYTJZIIRU-PKUKCYOKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1222.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Ki 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 4.73 | 4.73 | 18492.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | Ki | = | 3.5 | nM | 8.46 | Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Esch... | 29494161 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 18492.7 | nM | 4.73 | Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Esch... | 29494161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29494161 | 10.1021/acs.jmedchem.7b01648 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine