Compound Detail
CHEMBL188653
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Cc1nccn1CCCCc1ccc(C(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL188653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSCWSEUDIADRCA-XZYIFBDUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
610.8
MW (Da)
3.50
ALogP
7
HBA
5
HBD
151.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 7.4 | 6.25 | 40.0 | 2 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 7.4 | 6.25 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 40.0 | nM | 7.4 | Inhibition activity against N-myristoyltransferase (NMT) of candida albicans. | 9258368 |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 40.0 | nM | 7.4 | Compound was tested for its inhibitory activity against Candida albicans N-Myris... | - |
| Peptide N-myristoyltransferase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition activity against N-myristoyltransferase (NMT) of human. | 9258368 |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 8000.0 | nM | 5.1 | Compound was tested for its inhibitory activity against human N-Myristoyltransfe... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258368 | 10.1021/jm970094w | Peptide N-myristoyltransferase | 3 |
| - | 10.1016/0960-894X(96)00354-X | Glycylpeptide N-tetradecanoyltransferase 1 | 2 |
| - | 10.1016/0960-894X(96)00354-X | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine