Compound Detail
CHEMBL5612487
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Basic Information
| ChEMBL ID | CHEMBL5612487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VABWLHMKMGWANV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
6.16
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT 116 TP53(-/-) CHEMBL6066766 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT 116 TP53(-/-) | IC50 | = | 4800.0 | nM | 5.32 | Antiproliferative activity against human HCT116-p53-null cells assessed as reduc... | 38870832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38870832 | 10.1016/j.ejmech.2024.116561 | HCT 116 TP53(-/-) | 1 |
Data from ChEMBL 36 via Core Engine