Compound Detail
CHEMBL3754571
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Basic Information
| ChEMBL ID | CHEMBL3754571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVRMXUIJAGHARU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
3.40
ALogP
7
HBA
1
HBD
86.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL2169722 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | Ki | = | 1.7 | nM | 8.77 | Inhibition of Plasmodium falciparum NMT by 7-diethylamine-3-(4'maleimidylphenyl)... | 26962430 |
| Glycylpeptide N-tetradecanoyltransferase 1 | Ki | = | 24.0 | nM | 7.62 | Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumar... | 26962430 |
| Plasmodium falciparum | EC50 | = | 210.0 | nM | 6.68 | Antiparasitic activity against Plasmodium falciparum 3D7 trophozoites infected i... | 26962430 |
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 |
| 26962430 | 10.1039/c5md00242g | Plasmodium falciparum | 1 |
| 26962430 | 10.1039/c5md00242g | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine