Compound Detail
CHEMBL227934
STRYCHNINE Enter ChEMBL ID:
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O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
Basic Information
| ChEMBL ID | CHEMBL227934 |
| Name | STRYCHNINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMGVPVSNSZLJIA-FVWCLLPLSA-N |
8
Targets
34
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names
Molecular Properties
334.4
MW (Da)
2.09
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 26 meas. best 8.08
Ki 5 meas. best 8.33
EC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycine receptor CHEMBL3392921 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Glycine receptor subunit alpha-1 CHEMBL5845 | Ki | 8.3 | 7.6167 | 5.0 | 3 |
| Glycine receptor CHEMBL3392921 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Glycine receptor subunit alpha-1 CHEMBL3246 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.85 | 7.8333 | 14.0 | 3 |
| Glycine receptor subunit alpha-1 CHEMBL5845 | IC50 | 7.57 | 7.06 | 27.0 | 11 |
| Glycine receptor (alpha-1/beta) CHEMBL2363052 | IC50 | 7.24 | 6.7056 | 58.0 | 9 |
| Taste receptor type 2 member 46 CHEMBL4523253 | EC50 | 6.16 | 6.16 | 690.0 | 1 |
| Taste receptor type 2 member 10 CHEMBL3559704 | EC50 | 5.3 | 4.85 | 5000.0 | 2 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| - | 10.6019/CHEMBL5303304 | U2OS | 7 |
| 33596384 | 10.1021/acs.jnatprod.0c01030 | Glycine receptor subunit alpha-1 | 6 |
| 27966945 | 10.1021/acs.jnatprod.6b00479 | Glycine receptor subunit alpha-1 | 5 |
| 9986715 | 10.1021/jm970799y | Muscarinic acetylcholine receptor M1 | 4 |
| 9986715 | 10.1021/jm970799y | Muscarinic acetylcholine receptor M2 | 4 |
| 9986715 | 10.1021/jm970799y | Muscarinic acetylcholine receptor M3 | 4 |
| 9986715 | 10.1021/jm970799y | Muscarinic acetylcholine receptor M4 | 4 |
| 31385511 | 10.1021/acs.jnatprod.9b00180 | Glycine receptor subunit alpha-1 | 4 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 4 |
| 27966945 | 10.1021/acs.jnatprod.6b00479 | Glycine receptor (alpha-1/beta) | 3 |
| 19397318 | 10.1021/jm9003945 | No relevant target | 3 |
| 31385511 | 10.1021/acs.jnatprod.9b00180 | Glycine receptor (alpha-1/beta) | 3 |
| 33596384 | 10.1021/acs.jnatprod.0c01030 | Glycine receptor (alpha-1/beta) | 3 |
| 6195312 | 10.1021/np50028a027 | CHO | 2 |
| 7265121 | 10.1021/jm00135a020 | Mus musculus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| 20356304 | 10.1021/jm901688m | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine