Compound Detail
CHEMBL252142
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O=C(Nc1nc2ccc(C(=O)N3CCC(CNCc4ccc5ccccc5c4)CC3)cc2s1)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL252142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUAQFEKSVCJEPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
6.61
ALogP
5
HBA
2
HBD
74.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 26.0 | nM | 7.58 | 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