Compound Detail
CHEMBL448516
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CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL448516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKWHUJMJVNMKEF-DJEJIMQCSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
991.9
MW (Da)
3.41
ALogP
19
HBA
9
HBD
363.6
PSA (Ų)
0.04
QED
3
Ro5 Violations
33
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL5484 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 24.0 | nM | 7.62 | Compound was tested for the competitive inhibition against mouse brain N-Myristo... | 2754690 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Saccharomyces cerevisiae NMT | 17513302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2754690 | 10.1021/jm00128a001 | Unchecked | 2 |
| 17513302 | 10.1074/jbc.m702696200 | Glycylpeptide N-tetradecanoyltransferase | 1 |
Data from ChEMBL 36 via Core Engine