Compound Detail
CHEMBL3983158
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Cc1nn(C)c(C)c1N(CC(F)F)S(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3983158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZDFQTLYOJBXDX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
2.97
ALogP
7
HBA
1
HBD
83.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | 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 | = | 3.0 | nM | 8.52 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 19.0 | nM | 7.72 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
Data from ChEMBL 36 via Core Engine