Compound Detail
CHEMBL4856886
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CN(C)CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(C(N)=O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL4856886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWBGAPDBWGYOFU-XKIFMCPMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1184.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide N-methyltransferase CHEMBL2346486 | IC50 | 6.19 | 6.19 | 648.0 | 1 |
| Nicotinamide N-methyltransferase CHEMBL4295666 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide N-methyltransferase | IC50 | = | 648.0 | nM | 6.19 | Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate ass... | 34267879 |
| Nicotinamide N-methyltransferase | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate ass... | 34267879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34267879 | 10.1021/acsmedchemlett.1c00134 | Nicotinamide N-methyltransferase | 2 |
Data from ChEMBL 36 via Core Engine