Compound Detail
CHEMBL5563118
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Basic Information
| ChEMBL ID | CHEMBL5563118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVSOHWMZPMDCHY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.79
ALogP
7
HBA
2
HBD
85.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 5.27 | 5.27 | 5330.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | EC50 | 5.25 | 5.25 | 5680.0 | 1 |
| IEC-6 CHEMBL4296440 | EC50 | 5.05 | 5.05 | 8940.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 5.01 | 5.01 | 9820.0 | 1 |
| A-375 CHEMBL613859 | EC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 5330.0 | nM | 5.27 | Cytotoxicity against human HeLa cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| MIA PaCa-2 | EC50 | = | 5680.0 | nM | 5.25 | Cytotoxicity against human MIA PaCa-2 cells incubated for 48 to 72 hrs by MTT as... | 39038808 |
| IEC-6 | EC50 | = | 8940.0 | nM | 5.05 | Cytotoxicity against rat IEC-6 cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| MCF7 | EC50 | = | 9820.0 | nM | 5.01 | Cytotoxicity against human MCF7 cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| A-375 | EC50 | = | 11900.0 | nM | 4.92 | Cytotoxicity against human A-375 cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39038808 | 10.1021/acs.jmedchem.4c00718 | Serine/threonine-protein kinase haspin | 1 |
| 39038808 | 10.1021/acs.jmedchem.4c00718 | Raji | 1 |
| 39038808 | 10.1021/acs.jmedchem.4c00718 | HeLa | 1 |
| 39038808 | 10.1021/acs.jmedchem.4c00718 | A-375 | 1 |
| 39038808 | 10.1021/acs.jmedchem.4c00718 | MIA PaCa-2 | 1 |
| 39038808 | 10.1021/acs.jmedchem.4c00718 | MCF7 | 1 |
| 39038808 | 10.1021/acs.jmedchem.4c00718 | IEC-6 | 1 |
Data from ChEMBL 36 via Core Engine