Compound Detail
CHEMBL5574302
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Basic Information
| ChEMBL ID | CHEMBL5574302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNINZMMLNLEDJR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
4.45
ALogP
7
HBA
3
HBD
94.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | EC50 | 5.38 | 5.38 | 4220.0 | 1 |
| HeLa CHEMBL399 | EC50 | 5.33 | 5.33 | 4650.0 | 1 |
| IEC-6 CHEMBL4296440 | EC50 | 5.03 | 5.03 | 9380.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 4.98 | 4.98 | 10560.0 | 1 |
| A-375 CHEMBL613859 | EC50 | 4.92 | 4.92 | 12040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | EC50 | = | 4220.0 | nM | 5.38 | Cytotoxicity against human MIA PaCa-2 cells incubated for 48 to 72 hrs by MTT as... | 39038808 |
| HeLa | EC50 | = | 4650.0 | nM | 5.33 | Cytotoxicity against human HeLa cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| IEC-6 | EC50 | = | 9380.0 | nM | 5.03 | Cytotoxicity against rat IEC-6 cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| MCF7 | EC50 | = | 10560.0 | nM | 4.98 | Cytotoxicity against human MCF7 cells incubated for 48 to 72 hrs by MTT assay | 39038808 |
| A-375 | EC50 | = | 12040.0 | 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