Compound Detail
CHEMBL220527
DEHYDRODISCRETINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL220527 |
| Name | DEHYDRODISCRETINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKOWIGFWFQCIKO-UHFFFAOYSA-O |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.08
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.16 | 4.88 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 900.0 | nM | 6.05 | Antiplasmodial activity against Plasmodium falciparum FcB1 as [3H]hypoxanthine u... | 19053513 |
| MCF7 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of cell proliferation in MCF7 mp53 cells in presence of 6.5 Gy [60Co]... | 17315964 |
| MCF7 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of cell proliferation in MCF7 mp53 cells in absence of 6.5 Gy [60Co]-... | 17315964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17315964 | 10.1021/np060285e | MCF7 | 4 |
| 19053513 | 10.1021/np8004437 | Plasmodium falciparum | 1 |
| 19053513 | 10.1021/np8004437 | KB | 1 |
Data from ChEMBL 36 via Core Engine