Compound Detail
CHEMBL3913730
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Basic Information
| ChEMBL ID | CHEMBL3913730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XANRCBWVKKVBOO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.46
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 8.52 | 8.41 | 3.0 | 2 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL1949483 | IC50 | 8.3 | 7.88 | 5.0 | 2 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 7.85 | 7.835 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 3.0 | nM | 8.52 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 5.0 | nM | 8.3 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 5.0 | nM | 8.3 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 14.0 | nM | 7.85 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 15.0 | nM | 7.82 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 35.0 | nM | 7.46 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
Data from ChEMBL 36 via Core Engine