Compound Detail
CHEMBL4642134
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Basic Information
| ChEMBL ID | CHEMBL4642134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSURLHVMZLSPCB-AUTFTWOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
991.1
MW (Da)
5.07
ALogP
19
HBA
1
HBD
233.4
PSA (Ų)
0.15
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| OVCAR-3 CHEMBL614213 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| OVCAR-3 | IC50 | = | 8200.0 | nM | 5.09 | Cytotoxicity against human OVCAR3 cells after 72 hrs by CellTiter 96 Aqueous One... | 32096998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32096998 | 10.1021/acs.jnatprod.9b01060 | HT-29 | 1 |
| 32096998 | 10.1021/acs.jnatprod.9b01060 | MDA-MB-231 | 1 |
| 32096998 | 10.1021/acs.jnatprod.9b01060 | OVCAR-3 | 1 |
| 32096998 | 10.1021/acs.jnatprod.9b01060 | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine