Compound Detail
CHEMBL4790389
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
Basic Information
| ChEMBL ID | CHEMBL4790389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVXASWJRFPUFOH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.22
ALogP
5
HBA
1
HBD
98.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 12383.9 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 37000.0 | nM | 4.43 | Hepatotoxicity in rat liver mitochondria assessed as inhibition of mitochondrial... | 33062187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062187 | 10.1021/acsmedchemlett.0c00176 | Solute carrier family 22 member 12 | 3 |
| 33062187 | 10.1021/acsmedchemlett.0c00176 | ADMET | 3 |
Data from ChEMBL 36 via Core Engine