Compound Detail
CHEMBL1951277
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Basic Information
| ChEMBL ID | CHEMBL1951277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLKMGPCSKXTKNK-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
0.89
ALogP
8
HBA
2
HBD
95.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988591 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 5.09 | 5.055 | 8200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Trypanosoma brucei N-myristoyltransferase using [3H]myristoyl-CoA ... | 22148754 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 140.0 | nM | 6.85 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Trypanosoma brucei NMT by scintillation proximity assay | 37336067 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 2900.0 | nM | 5.54 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKV... | 22148754 |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 9500.0 | nM | 5.02 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148754 | 10.1021/jm201091t | Unchecked | 2 |
| 22148754 | 10.1021/jm201091t | No relevant target | 1 |
| 22148754 | 10.1021/jm201091t | Glycylpeptide N-tetradecanoyltransferase 1 | 1 |
| 37336067 | 10.1016/j.ejmech.2023.115550 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine