Compound Detail
CHEMBL4580899
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Basic Information
| ChEMBL ID | CHEMBL4580899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALQMCBWXSSJZAS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
-0.43
ALogP
5
HBA
2
HBD
112.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.24
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DLD-1 CHEMBL614285 | EC50 | 7.24 | 7.24 | 58.0 | 1 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 4.69 | 4.69 | 20490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DLD-1 | EC50 | = | 58.0 | nM | 7.24 | Growth inhibition of human DLD1 cells | - |
| Krueppel-like factor 5 | IC50 | = | 20490.0 | nM | 4.69 | Inhibition of KLF5 promoter activity in human DLD1 cells by luciferase reporter ... | - |
Data from ChEMBL 36 via Core Engine