Compound Detail
CHEMBL9657
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Basic Information
| ChEMBL ID | CHEMBL9657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQFJFCMYVJHOHE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.09
ALogP
5
HBA
3
HBD
97.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 2000.0 | nM | 5.7 | Concentration required to reduce growth of human jurkat leukemia cells to 50% of... | 8182707 |
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6988589 | 10.1021/jm00177a011 | Salmonella typhimurium | 3 |
| 6988589 | 10.1021/jm00177a011 | Mus musculus | 3 |
| 6747989 | 10.1021/jm00374a020 | P388 | 3 |
| 619148 | 10.1021/jm00199a002 | No relevant target | 2 |
| 3959029 | 10.1021/jm00154a014 | ADMET | 2 |
| 619148 | 10.1021/jm00199a002 | L1210 | 2 |
| 8182707 | 10.1021/jm00036a014 | Jurkat | 2 |
| 903915 | 10.1021/jm00220a003 | L1210 | 2 |
| 950644 | 10.1021/jm00228a007 | L1210 | 2 |
| 903915 | 10.1021/jm00220a003 | No relevant target | 2 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 850238 | 10.1021/jm00214a012 | No relevant target | 1 |
| 6747989 | 10.1021/jm00374a020 | L1210 | 1 |
| 6747989 | 10.1021/jm00374a020 | ADMET | 1 |
| 6747989 | 10.1021/jm00374a020 | No relevant target | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
| 6988589 | 10.1021/jm00177a011 | ADMET | 1 |
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 1 |
| 7120279 | 10.1021/jm00350a004 | L1210 | 1 |
| 3959029 | 10.1021/jm00154a014 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine