Compound Detail
CHEMBL545169
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CNCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)OC.Cl
Basic Information
| ChEMBL ID | CHEMBL545169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRSCJSKVYFHBCN-NYTZCTPBSA-N |
| Parent Compound | CHEMBL1193714 |
| Active Moiety | CHEMBL1193714 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.8
MW (Da)
1.51
ALogP
8
HBA
6
HBD
171.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 350.0 | nM | 6.46 | Inhibitory activity against N-myristoyltransferase (NMT) of candida albicans | 9154965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154965 | 10.1021/jm9608671 | Glycylpeptide N-tetradecanoyltransferase | 1 |
Data from ChEMBL 36 via Core Engine