Compound Detail
CHEMBL295949
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Basic Information
| ChEMBL ID | CHEMBL295949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJTUTENUUQRHAB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.78
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 5000.0 | nM | 5.3 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36913900 | 10.1016/j.ejmech.2023.115255 | Lysine-specific histone demethylase 1A | 2 |
| 9258370 | 10.1021/jm970232h | Leishmania major | 2 |
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 619148 | 10.1021/jm00199a002 | No relevant target | 2 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 950644 | 10.1021/jm00228a007 | L1210 | 1 |
| 619148 | 10.1021/jm00199a002 | L1210 | 1 |
| 660586 | 10.1021/jm00203a005 | L1210 | 1 |
| 660586 | 10.1021/jm00203a005 | Mus musculus | 1 |
| 660586 | 10.1021/jm00203a005 | No relevant target | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | No relevant target | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7205885 | 10.1021/jm00134a009 | Calf thymus DNA | 1 |
| 7205885 | 10.1021/jm00134a009 | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine