Compound Detail
CHEMBL3942893
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3942893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSOHHJIWNDBIBO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
4.15
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL1949483 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 28.0 | nM | 7.55 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 130.0 | nM | 6.89 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 150.0 | nM | 6.82 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
Data from ChEMBL 36 via Core Engine