Compound Detail
CHEMBL1940094
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Basic Information
| ChEMBL ID | CHEMBL1940094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRIGDXFCPJWAEK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.3
MW (Da)
4.66
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.62 | 5.27 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2400.0 | nM | 5.62 | Antiproliferative activity against human CRL2351 cells after 5 days by SRB assay | 22153346 |
| NON-PROTEIN TARGET | IC50 | = | 12000.0 | nM | 4.92 | Antiproliferative activity against human CRL2813 cells after 5 days by SRB assay | 22153346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153346 | 10.1016/j.bmcl.2011.10.126 | NON-PROTEIN TARGET | 3 |
| 22153346 | 10.1016/j.bmcl.2011.10.126 | Eukaryotic translation initiation factor 2-alpha kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine