Compound Detail
CHEMBL221868
NEODYSIHERBAINE A Enter ChEMBL ID:
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N[C@@H](C[C@]1(C(=O)O)C[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL221868 |
| Name | NEODYSIHERBAINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRTJEXLNSCGBJU-FQYLSUDWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
-2.48
ALogP
7
HBA
5
HBD
159.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.28 | 7.05 | 52.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 52.0 | nM | 7.28 | Displacement of [3H]kainic acid from Kainate receptor in rat synaptic membrane | 16949819 |
| Unchecked | Ki | = | 151.0 | nM | 6.82 | Displacement of [3H]AMPA from AMPA receptor in rat synaptic membrane | 16949819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16949819 | 10.1016/j.bmcl.2006.08.082 | Unchecked | 2 |
| 16949819 | 10.1016/j.bmcl.2006.08.082 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine