Compound Detail
CHEMBL252060
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O=C(NCc1cccc(CNCc2ccc3ccccc3c2)c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1
Basic Information
| ChEMBL ID | CHEMBL252060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZFSYPOLPDFYNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
7.19
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Candida albicans N-myristoyltransferse | 17349719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17349719 | 10.1016/j.ejmech.2006.11.001 | Glycylpeptide N-tetradecanoyltransferase | 2 |
Data from ChEMBL 36 via Core Engine