Compound Detail
CHEMBL2004669
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Basic Information
| ChEMBL ID | CHEMBL2004669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUCOUNTXDLWPQS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.56
ALogP
4
HBA
2
HBD
72.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.35
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 44500.0 | nM | 4.35 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 36332549 |
| HCT-116 | IC50 | = | 44250.0 | nM | 4.35 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 38142509 |
| DLD-1 | IC50 | = | 50200.0 | nM | 4.3 | Antiproliferative activity against human DLD-1 cells assessed as reduction in ce... | 36332549 |
| DLD-1 | IC50 | = | 50200.0 | nM | 4.3 | Antiproliferative activity against human DLD-1 cells assessed as inhibition of c... | 38142509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39145509 | 10.1021/acs.jmedchem.4c00722 | Serine/threonine-protein phosphatase 5 | 3 |
| 36332549 | 10.1016/j.ejmech.2022.114861 | DLD-1 | 1 |
| 36332549 | 10.1016/j.ejmech.2022.114861 | HCT-116 | 1 |
| 38142509 | 10.1016/j.ejmech.2023.116040 | HCT-116 | 1 |
| 38142509 | 10.1016/j.ejmech.2023.116040 | DLD-1 | 1 |
Data from ChEMBL 36 via Core Engine