Compound Detail
CHEMBL1330145
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Basic Information
| ChEMBL ID | CHEMBL1330145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URVRJYLSUVXWBC-AATRIKPKSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
0.80
ALogP
7
HBA
0
HBD
123.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 6.57 | 6.43 | 270.0 | 2 |
| DLD-1 CHEMBL614285 | EC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.49 | 4.49 | 32306.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Krueppel-like factor 5 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of KLF5 promoter activity in human DLD1 cells by luciferase reporter ... | - |
| Krueppel-like factor 5 | IC50 | = | 517.61 | nM | 6.29 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| DLD-1 | EC50 | = | 1510.0 | nM | 5.82 | Growth inhibition of human DLD1 cells | - |
| Unchecked | IC50 | = | 32306.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for KLF5 inhibitors: do... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine