Compound Detail
CHEMBL2171545
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Basic Information
| ChEMBL ID | CHEMBL2171545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSAJYNZBXCKFLB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.8
MW (Da)
4.98
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.96 | 5.755 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1100.0 | nM | 5.96 | Cytotoxicity against mouse Sarcoma 180 cells after 24 to 72 hrs by MTT assay | 22520257 |
| NON-PROTEIN TARGET | IC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against human HeLaS3 cells after 24 to 72 hrs by MTT assay | 22520257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22520257 | 10.1016/j.bmcl.2012.03.077 | Molecular identity unknown | 12 |
| 22520257 | 10.1016/j.bmcl.2012.03.077 | HeLa S3 | 2 |
| 22520257 | 10.1016/j.bmcl.2012.03.077 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine