Compound Detail
CHEMBL418591
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C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL418591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBQAKEGJDPYGMJ-FHWLQOOXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
-0.46
ALogP
7
HBA
7
HBD
202.7
PSA (Ų)
0.11
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 16000.0 | nM | 4.8 | 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