Compound Detail
CHEMBL253587
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O=C(Nc1nc2ccc(NC(=O)[C@@H]3CC[C@H](NCc4ccc5ccccc5c4)C3)cc2s1)C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL253587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCNYQNMEZYHMJL-RPWUZVMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
6.48
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Candida albicans N-myristoyltransferse | 17349719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17349719 | 10.1016/j.ejmech.2006.11.001 | Glycylpeptide N-tetradecanoyltransferase | 2 |
Data from ChEMBL 36 via Core Engine