Compound Detail
CHEMBL584300
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Basic Information
| ChEMBL ID | CHEMBL584300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRGPAIVGYBPUKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
6.38
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | IC50 | 7.84 | 7.455 | 14.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | IC50 | = | 14.6 | nM | 7.84 | Cytotoxicity against human SH-SY5Y cells assessed as cell viability after 48 hrs... | 19961183 |
| SH-SY5Y | IC50 | = | 84.4 | nM | 7.07 | Cytotoxicity against human SH-SY5Y cells assessed as reduction of total cellular... | 19961183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19961183 | 10.1021/jm9010669 | SH-SY5Y | 4 |
Data from ChEMBL 36 via Core Engine