Compound Detail
CHEMBL34801
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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL34801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQHVYWHJXJHNDJ-FKBYEOEOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
0.56
ALogP
7
HBA
7
HBD
202.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 6.64 | 6.28 | 230.0 | 2 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 230.0 | nM | 6.64 | Inhibitory activity against human N-Myristoyltransferase (NMT). | 7783114 |
| Peptide N-myristoyltransferase | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against Candida albicans N-Myristoyltransferase (NMT). | 7783114 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against N-myristoyltransferase (NMT) of candida albicans | 9154965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783114 | 10.1021/jm00011a001 | Peptide N-myristoyltransferase | 2 |
| 9154965 | 10.1021/jm9608671 | Glycylpeptide N-tetradecanoyltransferase | 2 |
| 7783114 | 10.1021/jm00011a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine