Compound Detail
CHEMBL3237412
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Basic Information
| ChEMBL ID | CHEMBL3237412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQHYQLNXKKHLDE-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
4.45
ALogP
7
HBA
1
HBD
66.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.05
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.05 | 7.78 | 9.0 | 2 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL2169722 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 9.0 | nM | 8.05 | Inhibition of Plasmodium vivax N-myristoyltransferase by CPM fluorescence assay | 24641010 |
| Glycylpeptide N-tetradecanoyltransferase | Ki | = | 26.0 | nM | 7.58 | Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence a... | 24641010 |
| Unchecked | Ki | = | 31.0 | nM | 7.51 | Inhibition of human N-myristoyltransferase using H-Gly-Ser-Asn-Lys-Ser-Lys-Pro-L... | 24641010 |
| Plasmodium falciparum | EC50 | = | 1410.0 | nM | 5.85 | Antimicrobial activity against late stage trophozoite form of Plasmodium falcipa... | 24641010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24641010 | 10.1021/jm500066b | Unchecked | 2 |
| 24641010 | 10.1021/jm500066b | Glycylpeptide N-tetradecanoyltransferase | 1 |
| 24641010 | 10.1021/jm500066b | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine