Compound Detail
CHEMBL4127016
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Basic Information
| ChEMBL ID | CHEMBL4127016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHJYLVCRVKSNJL-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.09
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 80S Ribosome CHEMBL3987582 | IC50 | 5.37 | 5.2 | 4300.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 123.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 11.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 80S Ribosome | IC50 | = | 4300.0 | nM | 5.37 | Binding affinity to 80S ribosome in human HuH7 cells harboring pCMV-truncated hu... | 29878763 |
| 80S Ribosome | IC50 | = | 9320.0 | nM | 5.03 | Binding affinity to 80S ribosome in human HuH7 cells assessed as inhibition of P... | 29878763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29878763 | 10.1021/acs.jmedchem.8b00650 | ADMET | 2 |
| 29878763 | 10.1021/acs.jmedchem.8b00650 | 80S Ribosome | 2 |
| 29878763 | 10.1021/acs.jmedchem.8b00650 | No relevant target | 1 |
| 29878763 | 10.1021/acs.jmedchem.8b00650 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 29878763 | 10.1021/acs.jmedchem.8b00650 | Bone marrow cell | 1 |
Data from ChEMBL 36 via Core Engine