Compound Detail
CHEMBL1668725
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Basic Information
| ChEMBL ID | CHEMBL1668725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOHWRGVOLLAMEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
4.71
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5200.0 | nM | 5.28 | Antitumor activity against human HeLaS3 cells after 24 to 72 hrs by MTT assay | 21194810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21194810 | 10.1016/j.ejmech.2010.11.044 | Molecular identity unknown | 24 |
| 21194810 | 10.1016/j.ejmech.2010.11.044 | HeLa S3 | 4 |
| 21194810 | 10.1016/j.ejmech.2010.11.044 | NON-PROTEIN TARGET | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | MCF7 | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | HeLa | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | Raji | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | NCI-H460 | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | A2780S | 1 |
| 35762925 | 10.1021/acs.jmedchem.2c00379 | HeLa | 1 |
| 35762925 | 10.1021/acs.jmedchem.2c00379 | Tubulin beta | 1 |
Data from ChEMBL 36 via Core Engine