Compound Detail
CHEMBL1951264
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Basic Information
| ChEMBL ID | CHEMBL1951264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXCJBRNVTQTKSN-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
413.1
MW (Da)
3.91
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.47
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.47 | 6.4133 | 340.0 | 3 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Trypanosoma brucei N-myristoyltransferase using [3H]myristoyl-CoA ... | 22148754 |
| Unchecked | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Trypanosoma brucei NMT by scintillation proximity assay | 37336067 |
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Trypanosoma brucei N-myristoyltransferase assessed as transfer of ... | 25412409 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 550.0 | nM | 6.26 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myrist... | 25412409 |
| Trypanosoma brucei | EC50 | = | 16000.0 | nM | 4.8 | Antitrypanosomal activity against Trypanosoma brucei BSF427 expressing VSG118 in... | 25412409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25412409 | 10.1021/jm500809c | Mus musculus | 2 |
| 22148754 | 10.1021/jm201091t | Unchecked | 1 |
| 25412409 | 10.1021/jm500809c | Unchecked | 1 |
| 25412409 | 10.1021/jm500809c | Glycylpeptide N-tetradecanoyltransferase 1 | 1 |
| 25412409 | 10.1021/jm500809c | Trypanosoma brucei | 1 |
| 25412409 | 10.1021/jm500809c | MRC5 | 1 |
| 25412409 | 10.1021/jm500809c | Liver | 1 |
| 37336067 | 10.1016/j.ejmech.2023.115550 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine