Compound Detail
CHEMBL4781629
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Basic Information
| ChEMBL ID | CHEMBL4781629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZHCIMXUFBNRJO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.52
ALogP
4
HBA
1
HBD
66.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 3600.0 | nM | 5.44 | Hepatotoxicity in rat liver mitochondria assessed as inhibition of mitochondrial... | 33062187 |
| Solute carrier family 22 member 12 | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of URAT1 in human RPTEC assessed as inhibition of [14C]uric acid upta... | 33062187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062187 | 10.1021/acsmedchemlett.0c00176 | Solute carrier family 22 member 12 | 2 |
| 33062187 | 10.1021/acsmedchemlett.0c00176 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine