Compound Detail
CHEMBL4440755
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CN(C(=O)CNC(=O)/C=C/c1cccc(S(=O)(=O)N(C)C)c1)C1CCS(=O)(=O)CC1
Basic Information
| ChEMBL ID | CHEMBL4440755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBDKUIMXHXNEFQ-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
0.10
ALogP
6
HBA
1
HBD
120.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Krueppel-like factor 5 | IC50 | = | 59000.0 | nM | 4.23 | Inhibition of KLF5 promoter activity in human DLD1 cells by luciferase reporter ... | - |
Data from ChEMBL 36 via Core Engine