Compound Detail
CHEMBL1951295
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Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2cccc(CN3CCN(C)CC3)c2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL1951295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMUQZULJZPZDRX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
4.56
ALogP
6
HBA
1
HBD
70.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
EC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Trypanosoma brucei N-myristoyltransferase using [3H]myristoyl-CoA ... | 22148754 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 6.0 | nM | 8.22 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKV... | 22148754 |
| Glycylpeptide N-tetradecanoyltransferase 1 | IC50 | = | 7.0 | nM | 8.15 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
| Trypanosoma brucei | EC50 | = | 13.0 | nM | 7.89 | Antimicrobial activity against blood stream form Trypanosoma brucei BSF427 expre... | 22148754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148754 | 10.1021/jm201091t | Unchecked | 1 |
| 22148754 | 10.1021/jm201091t | Glycylpeptide N-tetradecanoyltransferase 1 | 1 |
| 22148754 | 10.1021/jm201091t | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine