Compound Detail
CHEMBL1161456
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Basic Information
| ChEMBL ID | CHEMBL1161456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHYKQXTYUPPQMF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.1
MW (Da)
-2.45
ALogP
8
HBA
8
HBD
240.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.89
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol 1,4,5-trisphosphate receptor CHEMBL2111451 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inositol 1,4,5-trisphosphate receptor | EC50 | = | 130.0 | nM | 6.89 | Compound was evaluated for its effective dose to inhibit the calcium release as ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81052-0 | Inositol 1,4,5-trisphosphate receptor | 2 |
Data from ChEMBL 36 via Core Engine