Compound Detail
CHEMBL5206283
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5206283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYLTZDTVJJMFKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
521.1
MW (Da)
6.70
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.39
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 11900.0 | nM | 4.92 | 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