Compound Detail
CHEMBL3357682
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Basic Information
| ChEMBL ID | CHEMBL3357682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCTLYQUKCDMZSK-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
481.4
MW (Da)
3.31
ALogP
7
HBA
2
HBD
92.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 8.0 | 7.96 | 10.0 | 2 |
| MRC5 CHEMBL614181 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 1.0 | nM | 9.0 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Trypanosoma brucei | EC50 | = | 2.0 | nM | 8.7 | Antitrypanosomal activity against Trypanosoma brucei BSF427 expressing VSG118 in... | 25412409 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Trypanosoma brucei N-myristoyltransferase assessed as transfer of ... | 25412409 |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 10.0 | nM | 8.0 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myrist... | 25412409 |
| MRC5 | EC50 | = | 250.0 | nM | 6.6 | Antiproliferative activity against human MRC5 cells assessed as reduction cell v... | 25412409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25412409 | 10.1021/jm500809c | Unchecked | 2 |
| 25412409 | 10.1021/jm500809c | Glycylpeptide N-tetradecanoyltransferase 1 | 1 |
| 25412409 | 10.1021/jm500809c | Trypanosoma brucei | 1 |
| 25412409 | 10.1021/jm500809c | MRC5 | 1 |
| 25412409 | 10.1021/jm500809c | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine