Compound Detail
CHEMBL8015
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Basic Information
| ChEMBL ID | CHEMBL8015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSGRSYNLPDCMGL-XCVCLJGOSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.31
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.73 | 5.465 | 1880.0 | 2 |
| P388 CHEMBL389 | IC50 | 5.6 | 5.6 | 2490.0 | 1 |
| Protein disulfide-isomerase CHEMBL5422 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.52 | 4.52 | 30400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1880.0 | nM | 5.73 | Concentration required to inhibit 50% growth of Human CEM T-lymphocytes cells | 9544201 |
| P388 | IC50 | = | 2490.0 | nM | 5.6 | Inhibition of proliferation of murine P388 cells | 9544201 |
| Protein disulfide-isomerase | IC50 | = | 2560.0 | nM | 5.59 | Inhibition of recombinant human N-terminal His-tagged PDI expressed in Escherich... | 30759340 |
| Homo sapiens | IC50 | = | 6330.0 | nM | 5.2 | Concentration required to inhibit 50% growth of human Molt 4/C8 T-lymphocyte cel... | 9544201 |
| L1210 | IC50 | = | 13000.0 | nM | 4.89 | Concentration required to inhibit 50% growth of L1210 leukemia cells | 9544201 |
| Plasmodium falciparum | IC50 | = | 30400.0 | nM | 4.52 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544201 | 10.1021/jm970432t | Homo sapiens | 2 |
| 28159411 | 10.1016/j.bmcl.2017.01.061 | RAW264.7 | 2 |
| 9544201 | 10.1021/jm970432t | P388 | 1 |
| 9544201 | 10.1021/jm970432t | L1210 | 1 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 30759340 | 10.1021/acs.jmedchem.8b01951 | Protein disulfide-isomerase | 1 |
Data from ChEMBL 36 via Core Engine