Compound Detail
CHEMBL3594107
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C=C(C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C.c1ccncc1
Basic Information
| ChEMBL ID | CHEMBL3594107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVYLWUFSJREXHZ-LKMXRZIPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 500.0 | nM | 6.3 | Inhibition of recombinant GluN1/GluN2B receptor (unknown origin) expressed in HE... | 26171651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26171651 | 10.1021/acs.jmedchem.5b00570 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
Data from ChEMBL 36 via Core Engine