Compound Detail
CHEMBL88331
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NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCCn1ccnc1)C(=O)NCCC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL88331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPQSDCQNOGGFJZ-VMPREFPWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
590.9
MW (Da)
3.96
ALogP
7
HBA
5
HBD
151.4
PSA (Ų)
0.12
QED
1
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition activity against N-myristoyltransferase (NMT) of candida albicans. | 9258368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258368 | 10.1021/jm970094w | Peptide N-myristoyltransferase | 1 |
Data from ChEMBL 36 via Core Engine