Compound Detail
CHEMBL167495
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Basic Information
| ChEMBL ID | CHEMBL167495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFKUIEOWXKLDTC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
1.14
ALogP
4
HBA
2
HBD
112.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.55 | hr | Homo sapiens |
| T1/2 | 0.55 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 860.0 | nM | 6.07 | In vitro concentration required to inhibit NHE-1 mediated intracellular maximal ... | 11277524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22587988 | 10.1124/dmd.112.045823 | Aldehyde oxidase | 2 |
| 11277524 | 10.1016/s0960-894x(01)00059-2 | Sodium/hydrogen exchanger 1 | 1 |
| 11277524 | 10.1016/s0960-894x(01)00059-2 | Sodium/hydrogen exchanger 2 | 1 |
| 11277524 | 10.1016/s0960-894x(01)00059-2 | Unchecked | 1 |
| 31385704 | 10.1021/acs.jmedchem.9b00875 | Aldehyde oxidase | 1 |
Data from ChEMBL 36 via Core Engine