Compound Detail
CHEMBL558030
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COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCN(C)C.Cl
Basic Information
| ChEMBL ID | CHEMBL558030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIJIWHKDAFPJFQ-NAGNLMCHSA-N |
| Parent Compound | CHEMBL1196750 |
| Active Moiety | CHEMBL1196750 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.8
MW (Da)
1.85
ALogP
8
HBA
5
HBD
163.1
PSA (Ų)
0.09
QED
1
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 690.0 | nM | 6.16 | 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