Compound Detail
CHEMBL5563696
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Basic Information
| ChEMBL ID | CHEMBL5563696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYIAMGMHHSQZIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
-0.22
ALogP
7
HBA
5
HBD
154.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 5 CHEMBL3058 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
| HT-1080 CHEMBL614580 | IC50 | 4.4 | 4.4 | 39900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 5 | IC50 | = | 15900.0 | nM | 4.8 | Inhibition of human NHE5 transfected in chinese hamster PS120 cells measured aft... | 38246115 |
| HT-1080 | IC50 | = | 39900.0 | nM | 4.4 | Cytotoxicity against human HT-1080 cells assessed as inhibition of cell growth i... | 38246115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38246115 | 10.1016/j.bmc.2024.117603 | Unchecked | 4 |
| 38246115 | 10.1016/j.bmc.2024.117603 | Sodium/hydrogen exchanger 1 | 2 |
| 38246115 | 10.1016/j.bmc.2024.117603 | Sodium/hydrogen exchanger 5 | 1 |
| 38246115 | 10.1016/j.bmc.2024.117603 | NHDF | 1 |
| 38246115 | 10.1016/j.bmc.2024.117603 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine