Compound Detail
CHEMBL89727
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COC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)Cc1ccc(CCCCn2ccnc2C)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL89727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPRRBQCDTUHNCD-SONWIMMPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
602.7
MW (Da)
-0.41
ALogP
10
HBA
6
HBD
215.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 7.09 | 5.865 | 81.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 81.0 | nM | 7.09 | Inhibition activity against N-myristoyltransferase (NMT) of candida albicans. | 9258368 |
| Peptide N-myristoyltransferase | IC50 | = | 22700.0 | nM | 4.64 | Inhibition activity against N-myristoyltransferase (NMT) of human. | 9258368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258368 | 10.1021/jm970094w | Peptide N-myristoyltransferase | 3 |
| 9258368 | 10.1021/jm970094w | Candida albicans | 1 |
| 9258368 | 10.1021/jm970094w | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine