Compound Detail
CHEMBL372221
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Basic Information
| ChEMBL ID | CHEMBL372221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZRXDBPFFRVVME-ZZXKWVIFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
5.62
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NB-4 | IC50 | = | 1200.0 | nM | 5.92 | Concentration of compound required for inhibition of (NB4) human promyelocytic l... | 16033272 |
| NB-4 | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against human NB4 cells after 72 hrs | 17512204 |
| IGROV-1 | IC50 | = | 1310.0 | nM | 5.88 | Concentration of compound required for inhibition of (IGROV-1) human ovarian car... | 16033272 |
| IGROV-1 | IC50 | = | 1310.0 | nM | 5.88 | Antiproliferative activity against human IGROV1 cells after 72 hrs | 17512204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17512204 | 10.1016/j.bmc.2007.04.057 | IGROV-1 | 3 |
| 16033272 | 10.1021/jm049440h | IGROV-1 | 1 |
| 16033272 | 10.1021/jm049440h | NON-PROTEIN TARGET | 1 |
| 16033272 | 10.1021/jm049440h | NB-4 | 1 |
| 17512204 | 10.1016/j.bmc.2007.04.057 | NON-PROTEIN TARGET | 1 |
| 17512204 | 10.1016/j.bmc.2007.04.057 | NB-4 | 1 |
Data from ChEMBL 36 via Core Engine