Compound Detail
CHEMBL71733
TRIGONELLAMIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL71733 |
| Name | TRIGONELLAMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LDHMAVIPBRSVRG-UHFFFAOYSA-O |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names
1
Indications
Molecular Properties
137.2
MW (Da)
-0.39
ALogP
1
HBA
1
HBD
47.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Hyperlipidemias
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide N-methyltransferase CHEMBL2346486 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of recombinant human NNMT triple mutant expressed in Escherichia coli... | 28548833 |
| Nicotinamide N-methyltransferase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of recombinant human NNMT (1 to 270 residues) expressed in Escherichi... | 34458733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374149 | 10.1021/jm00170a029 | Sodium-dependent dopamine transporter | 2 |
| 28548833 | 10.1021/acs.jmedchem.7b00389 | Unchecked | 1 |
| 34458733 | 10.1039/D1MD00016K | Nicotinamide N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine