Compound Detail
CHEMBL33289
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NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL33289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHXMOHGSCCLPTR-DQEYMECFSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
525.8
MW (Da)
2.63
ALogP
6
HBA
6
HBD
159.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.96
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 6.96 | 6.564 | 110.0 | 5 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | Ki | = | 70.0 | nM | 7.16 | The binding affinity was evaluated towards N-myristoyltransferase (NMT) in the p... | 9154965 |
| Peptide N-myristoyltransferase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Candida albicans N-myristoyltransferase (NMT) with peptide GNAASAR... | - |
| Peptide N-myristoyltransferase | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against Candida albicans N-Myristoyltransferase (NMT). | 7783114 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against N-myristoyltransferase (NMT) of candida albicans | 9154965 |
| Peptide N-myristoyltransferase | IC50 | = | 500.0 | nM | 6.3 | Tested for Inhibitory concentration against human N-myristoyltransferase (NMT) i... | - |
| Peptide N-myristoyltransferase | IC50 | = | 500.0 | nM | 6.3 | Inhibitory activity against human N-Myristoyltransferase (NMT). | 7783114 |
| Peptide N-myristoyltransferase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human N-myristoyltransferase (NMT) | 9154965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00030-9 | Peptide N-myristoyltransferase | 4 |
| 7783114 | 10.1021/jm00011a001 | Peptide N-myristoyltransferase | 4 |
| 9154965 | 10.1021/jm9608671 | Peptide N-myristoyltransferase | 2 |
| - | 10.1016/S0960-894X(97)00030-9 | Unchecked | 1 |
| 7783114 | 10.1021/jm00011a001 | Unchecked | 1 |
| 9154965 | 10.1021/jm9608671 | Glycylpeptide N-tetradecanoyltransferase | 1 |
| 9154965 | 10.1021/jm9608671 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine