Compound Detail
CHEMBL52854
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL52854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGZDVTYUYRFWCS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
4.86
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of candida N-myristoyltransferase | - |
| Peptide N-myristoyltransferase | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt) | 11459642 |
| Candida albicans | IC50 | = | 53000.0 | nM | 4.28 | Antifungal activity against Candida albicans CY1002 | 11459642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Peptide N-myristoyltransferase | 2 |
| - | 10.1007/s00044-008-9120-5 | Glycylpeptide N-tetradecanoyltransferase | 2 |
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine