Compound Detail
CHEMBL4791213
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Basic Information
| ChEMBL ID | CHEMBL4791213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXVFUQUYAYWCMO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
1.45
ALogP
6
HBA
4
HBD
113.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide N-methyltransferase CHEMBL4295666 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Nicotinamide N-methyltransferase CHEMBL2346486 | IC50 | 7.13 | 7.13 | 74.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide N-methyltransferase | IC50 | = | 21.0 | nM | 7.68 | Inhibition of mouse NNMT using nicotinamide as substrate incubated for 2 hrs in ... | 33859793 |
| Nicotinamide N-methyltransferase | IC50 | = | 74.0 | nM | 7.13 | Inhibition of full length N-terminal His-tagged human NNMT using nicotinamide as... | 33859793 |
| Nicotinamide N-methyltransferase | IC50 | = | 74.0 | nM | 7.13 | Inhibition of human NNMT | 36288465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33859793 | 10.1021/acsmedchemlett.1c00150 | Nicotinamide N-methyltransferase | 2 |
| 36288465 | 10.1021/acs.jmedchem.2c01166 | Nicotinamide N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine