Compound Detail
CHEMBL487736
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Basic Information
| ChEMBL ID | CHEMBL487736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFFRXMLOYGAMMO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
5.19
ALogP
6
HBA
1
HBD
58.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-BR-3 CHEMBL613834 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-BR-3 | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against human SKBr3 cells after 72 hrs by MTT assay | 18500794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18500794 | 10.1021/jm7013875 | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine