Compound Detail
CHEMBL4847421
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Basic Information
| ChEMBL ID | CHEMBL4847421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIZMNDCLUJQHAN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
210.3
MW (Da)
2.04
ALogP
6
HBA
0
HBD
54.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DU-145 | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against human DU-145 cells assessed as reduction in cell viability ... | 33951490 |
| 5637 | IC50 | = | 81000.0 | nM | 4.09 | Cytotoxicity against human 5637 cells assessed as reduction in cell viability in... | 33951490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33951490 | 10.1016/j.bmcl.2021.128078 | Unchecked | 3 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | MCF7 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | 5637 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | DU-145 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | PANC-1 | 1 |
| 33951490 | 10.1016/j.bmcl.2021.128078 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine