Compound Detail
CHEMBL1161529
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Basic Information
| ChEMBL ID | CHEMBL1161529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHUZQIJSAKZPDO-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.1
MW (Da)
-3.52
ALogP
9
HBA
9
HBD
266.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.97
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.97 | 5.7433 | 1070.0 | 3 |
| Type 1 InsP3 receptor isoform S2 CHEMBL2950 | IC50 | 5.25 | 5.145 | 5652.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1070.0 | nM | 5.97 | Calcium mobilization in saponin permeabilised SH-SY5Y neuroblastoma cells at a p... | 8145238 |
| Unchecked | EC50 | = | 1491.0 | nM | 5.83 | Calcium mobilization in saponin permeabilised SH-SY5Y neuroblastoma cells at a p... | 8145238 |
| Unchecked | EC50 | = | 3676.0 | nM | 5.43 | Calcium mobilization in saponin permeabilised SH-SY5Y neuroblastoma cells at a p... | 8145238 |
| Type 1 InsP3 receptor isoform S2 | IC50 | = | 5652.0 | nM | 5.25 | Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 7.6... | 8145238 |
| Type 1 InsP3 receptor isoform S2 | IC50 | = | 9114.0 | nM | 5.04 | Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 6.8... | 8145238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8145238 | 10.1021/jm00032a022 | Unchecked | 3 |
| 8145238 | 10.1021/jm00032a022 | Type 1 InsP3 receptor isoform S2 | 2 |
Data from ChEMBL 36 via Core Engine