Compound Detail
CHEMBL440640
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Basic Information
| ChEMBL ID | CHEMBL440640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHUYEFNOZGAZPA-IAGONARPSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.89
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.25 | 6.25 | 564.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.52 | 4.315 | 30300.0 | 2 |
| Tumor Cell line CHEMBL613974 | IC50 | 4.03 | 4.03 | 93300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 564.0 | nM | 6.25 | Inhibition of proliferation of murine P388 cells | 9544201 |
| Homo sapiens | IC50 | = | 30300.0 | nM | 4.52 | Concentration required to inhibit 50% growth of human Molt 4/C8 T-lymphocyte cel... | 9544201 |
| Homo sapiens | IC50 | = | 78600.0 | nM | 4.11 | Concentration required to inhibit 50% growth of Human CEM T-lymphocytes cells | 9544201 |
| Tumor Cell line | IC50 | = | 93300.0 | nM | 4.03 | Evaluation for cytotoxicity to human tumor cell lines. | 9544201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544201 | 10.1021/jm970432t | Homo sapiens | 2 |
| 9544201 | 10.1021/jm970432t | P388 | 1 |
| 9544201 | 10.1021/jm970432t | L1210 | 1 |
| 9544201 | 10.1021/jm970432t | Tumor Cell line | 1 |
| 35728509 | 10.1016/j.ejmech.2022.114529 | Alpha-synuclein | 1 |
Data from ChEMBL 36 via Core Engine