Compound Detail
CHEMBL439562
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Basic Information
| ChEMBL ID | CHEMBL439562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMIQFNIVDZZWQJ-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.65
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.77 | 5.91 | 170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 170.0 | nM | 6.77 | Antitumor activity in MV522 cells assessed as cell survival after 48 hrs | 17977722 |
| NON-PROTEIN TARGET | IC50 | = | 8900.0 | nM | 5.05 | Antitumor activity in MV522 cells assessed as inhibition of DNA synthesis after ... | 17977722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17977722 | 10.1016/j.bmcl.2007.10.040 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine