Compound Detail
CHEMBL3746984
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Basic Information
| ChEMBL ID | CHEMBL3746984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQHMANLEKXLTRQ-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
3.74
ALogP
5
HBA
2
HBD
84.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 44.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 16.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.2167 | hr | Rattus norvegicus |
| T1/2 | 0.4167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against luciferase expressing human KMS11 cells after... | 26505898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Liver microsome | 6 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Serine/threonine-protein kinase pim-1 | 1 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Serine/threonine-protein kinase pim-2 | 1 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Serine/threonine-protein kinase pim-3 | 1 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine