Compound Detail
CHEMBL5598034
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Basic Information
| ChEMBL ID | CHEMBL5598034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNERYRSLHSVTHO-YHARCJFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
2.87
ALogP
10
HBA
4
HBD
123.4
PSA (Ų)
0.11
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.05 | 5.05 | 8970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 8970.0 | nM | 5.05 | Antiproliferative activity against human HCT-116 cells incubated for 48 hrs by M... | 38851056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38851056 | 10.1016/j.ejmech.2024.116541 | HCT-116 | 1 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | EBC-1 | 1 |
| 38851056 | 10.1016/j.ejmech.2024.116541 | NCI-H1581 | 1 |
Data from ChEMBL 36 via Core Engine