Compound Detail
CHEMBL2273036
DEHYDRORYANODINE Enter ChEMBL ID:
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C=C1CC[C@]2(O)[C@]3(C)C[C@]4(O)O[C@@]2([C@@H]1O)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c2ccc[nH]2)[C@](O)(C(C)C)[C@@]14C
Basic Information
| ChEMBL ID | CHEMBL2273036 |
| Name | DEHYDRORYANODINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPFNBBLVUYSFRK-OHEPIYSBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
-0.27
ALogP
9
HBA
7
HBD
172.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ryanodine receptor 1 CHEMBL3288 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ryanodine receptor 1 | IC50 | = | 13.0 | nM | 7.89 | Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cunicu... | 2435905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8387597 | 10.1021/jm00061a003 | Musca domestica | 2 |
| 8387597 | 10.1021/jm00061a003 | Ryanodine receptor 1 | 2 |
| 2435905 | 10.1021/jm00387a022 | Musca domestica | 1 |
| 2435905 | 10.1021/jm00387a022 | Mus musculus | 1 |
| 2435905 | 10.1021/jm00387a022 | Ryanodine receptor 1 | 1 |
| 8387597 | 10.1021/jm00061a003 | Ryanodine receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine