Compound Detail
CHEMBL577804
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Basic Information
| ChEMBL ID | CHEMBL577804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBVHLVQHDJDNRK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
4.67
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | IC50 | 8.24 | 7.635 | 5.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | IC50 | = | 5.7 | nM | 8.24 | Cytotoxicity against human SH-SY5Y cells assessed as reduction of total cellular... | 19961183 |
| SH-SY5Y | IC50 | = | 92.9 | nM | 7.03 | Cytotoxicity against human SH-SY5Y cells assessed as cell viability after 48 hrs... | 19961183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19961183 | 10.1021/jm9010669 | SH-SY5Y | 2 |
Data from ChEMBL 36 via Core Engine