Compound Detail
CHEMBL3753053
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Basic Information
| ChEMBL ID | CHEMBL3753053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHFGMFJQOCSEGM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
4.12
ALogP
6
HBA
1
HBD
69.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL2169722 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | Ki | 6.44 | 6.395 | 360.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | Ki | = | 30.0 | nM | 7.52 | Inhibition of Plasmodium falciparum NMT by 7-diethylamine-3-(4'maleimidylphenyl)... | 26962430 |
| Glycylpeptide N-tetradecanoyltransferase 1 | Ki | = | 360.0 | nM | 6.44 | Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumar... | 26962430 |
| Unchecked | Ki | = | 360.0 | nM | 6.44 | Binding affinity to Leishmania donovani N-myristoyltransferase by fluorescence a... | 26962429 |
| Glycylpeptide N-tetradecanoyltransferase 1 | Ki | = | 450.0 | nM | 6.35 | Binding affinity to human N-myristoyltransferase by fluorescence analysis | 26962429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26962430 | 10.1039/c5md00242g | Glycylpeptide N-tetradecanoyltransferase | 1 |
| 26962430 | 10.1039/c5md00242g | Glycylpeptide N-tetradecanoyltransferase 1 | 1 |
| 26962430 | 10.1039/c5md00242g | Unchecked | 1 |
| 26962429 | 10.1039/c5md00241a | Unchecked | 1 |
| 26962429 | 10.1039/c5md00241a | Glycylpeptide N-tetradecanoyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine