Compound Detail
CHEMBL4113504
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Cc1c(NS(=O)(=O)c2ccc(-c3cccc(CNCCc4cccnc4)c3)cc2)c(CC(C)C)nn1C
Basic Information
| ChEMBL ID | CHEMBL4113504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZIZCUMFALUOSC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.7
MW (Da)
5.12
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL1949483 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 4.0 | nM | 8.4 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 6.0 | nM | 8.22 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 19.0 | nM | 7.72 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
Data from ChEMBL 36 via Core Engine