Compound Detail
CHEMBL3604316
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Basic Information
| ChEMBL ID | CHEMBL3604316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYCXYKOXLNBYID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
178.1
MW (Da)
1.20
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 1900.0 | nM | 5.72 | Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 6-OHDA-... | 27420919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26227773 | 10.1016/j.bmcl.2015.07.017 | Pancreatic triacylglycerol lipase | 2 |
| 26096681 | 10.1016/j.bmcl.2015.05.089 | NON-PROTEIN TARGET | 1 |
| 27420919 | 10.1021/acs.jnatprod.6b00204 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine