Compound Detail
CHEMBL5199472
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N=C(N)NCCC[C@@H]1NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5199472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPVZTDPTTFCXQQ-BZSNNMDCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
642.8
MW (Da)
-2.62
ALogP
8
HBA
11
HBD
282.8
PSA (Ų)
0.04
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 5.66 | 5.5733 | 2200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of human SIRT5 | 36543033 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of SIRT5 (unknown origin) | 37643500 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of SIRT5 desuccinylase activity (unknown origin) using succinyl-lysin... | 35802779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35802779 | 10.1021/acs.jmedchem.2c00687 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
| 36543033 | 10.1016/j.ejmech.2022.115024 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
| 37643500 | 10.1016/j.bmc.2023.117455 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine