Compound Detail
CHEMBL5180877
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Basic Information
| ChEMBL ID | CHEMBL5180877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBVLLBVHAWLNMR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
5.48
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 6400.0 | nM | 5.19 | Antitumor activity against human HT-29 cells assessed as inhibition of cell prol... | 35777102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35777102 | 10.1016/j.ejmech.2022.114560 | Cytochrome c oxidase subunit 2 | 3 |
| 35777102 | 10.1016/j.ejmech.2022.114560 | DNA topoisomerase 1 | 1 |
| 35777102 | 10.1016/j.ejmech.2022.114560 | HT-29 | 1 |
| 35777102 | 10.1016/j.ejmech.2022.114560 | RKO | 1 |
| 35777102 | 10.1016/j.ejmech.2022.114560 | LoVo | 1 |
| 35777102 | 10.1016/j.ejmech.2022.114560 | HCT-116 | 1 |
| 35777102 | 10.1016/j.ejmech.2022.114560 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine