Compound Detail
CHEMBL3633917
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Basic Information
| ChEMBL ID | CHEMBL3633917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXTJEEVXJXQDRC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
537.7
MW (Da)
2.53
ALogP
9
HBA
2
HBD
87.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.05 | 4.05 | 89100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 69000.0 | nM | 4.16 | Antiproliferative effects against human SHEP cells after 72 hrs by Alamar blue a... | 26432036 |
| MDA-MB-231 | IC50 | = | 89100.0 | nM | 4.05 | Antiproliferative effects against human MDA-MB-231 cells after 72 hrs by Alamar ... | 26432036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26432036 | 10.1016/j.bmcl.2015.09.027 | MDA-MB-231 | 1 |
| 26432036 | 10.1016/j.bmcl.2015.09.027 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine