Compound Detail
CHEMBL5568999
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Basic Information
| ChEMBL ID | CHEMBL5568999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNSVUOHAKSJQIQ-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
446.0
MW (Da)
6.03
ALogP
3
HBA
2
HBD
46.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.86
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 6.04 | 6.04 | 922.0 | 1 |
| A-375 CHEMBL613859 | EC50 | 5.86 | 5.86 | 1370.0 | 1 |
| HeLa CHEMBL399 | EC50 | 5.83 | 5.83 | 1480.0 | 1 |
| IEC-6 CHEMBL4296440 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | EC50 | 5.67 | 5.67 | 2120.0 | 1 |
| Raji CHEMBL614628 | EC50 | 5.66 | 5.66 | 2190.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 5.64 | 5.64 | 2280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | IC50 | = | 922.0 | nM | 6.04 | Inhibition of human haspin preincubated for 30 mins followed by ATP and ULight-h... | 39038808 |
| A-375 | EC50 | = | 1370.0 | nM | 5.86 | Cytotoxicity against human A-375 cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| HeLa | EC50 | = | 1480.0 | nM | 5.83 | Cytotoxicity against human HeLa cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| IEC-6 | EC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against rat IEC-6 cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| MIA PaCa-2 | EC50 | = | 2120.0 | nM | 5.67 | Cytotoxicity against human MIA PaCa-2 cells incubated for 48 to 72 hrs by MTT as... | 39038808 |
| Raji | EC50 | = | 2190.0 | nM | 5.66 | Cytotoxicity against human Raji cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| MCF7 | EC50 | = | 2280.0 | nM | 5.64 | Cytotoxicity against human MCF7 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 | 2 |
| 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