Compound Detail
CHEMBL269163
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Basic Information
| ChEMBL ID | CHEMBL269163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTSKIPKSVPFFLB-JXMROGBWSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
258.7
MW (Da)
3.94
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.16 | 5.16 | 6850.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.86 | 4.8 | 13900.0 | 2 |
| L1210 CHEMBL386 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.21 | 4.21 | 61700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 6850.0 | nM | 5.16 | Inhibition of proliferation of murine P388 cells | 9544201 |
| Homo sapiens | IC50 | = | 13900.0 | nM | 4.86 | Concentration required to inhibit 50% growth of Human CEM T-lymphocytes cells | 9544201 |
| Homo sapiens | IC50 | = | 18200.0 | nM | 4.74 | Concentration required to inhibit 50% growth of human Molt 4/C8 T-lymphocyte cel... | 9544201 |
| L1210 | IC50 | = | 24500.0 | nM | 4.61 | Concentration required to inhibit 50% growth of L1210 leukemia cells | 9544201 |
| Plasmodium falciparum | IC50 | = | 61700.0 | nM | 4.21 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
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 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 24703232 | 10.1016/j.bmcl.2014.03.030 | No relevant target | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine