Compound Detail
CHEMBL417990
BICUCULLINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL417990 |
| Name | BICUCULLINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYGYMKDQCDOMRE-ZWKOTPCHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.58
ALogP
7
HBA
0
HBD
66.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit gamma-1 CHEMBL296 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 5.21 | 4.7967 | 6200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit gamma-1 | IC50 | = | 3800.0 | nM | 5.42 | Percent displacement of [3H]GABA at Gamma-aminobutyric acid receptor in rat brai... | 7420361 |
| GABA-A receptor; anion channel | IC50 | = | 6200.0 | nM | 5.21 | Affinity for gamma-aminobutyric-acid A receptor measured by its ability to displ... | 1331456 |
| GABA-A receptor; anion channel | IC50 | = | 15000.0 | nM | 4.82 | Displacement of [3H]GABA from gamma-aminobutyric-acid A (GABA-A) receptor | 1317920 |
| GABA-A receptor; anion channel | IC50 | = | 44000.0 | nM | 4.36 | Binding affinity in vivo for gamma-aminobutyric-acid A receptor measured by its ... | 1331456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 11086734 | 10.1016/s0960-894x(00)00514-x | GABA-A receptor; anion channel | 3 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17875639 | 10.1074/jbc.m707233200 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 1331456 | 10.1021/jm00100a015 | GABA-A receptor; anion channel | 2 |
| 7420361 | 10.1021/jm00184a017 | GABA-A receptor; anion channel | 1 |
| 7420361 | 10.1021/jm00184a017 | Gamma-aminobutyric acid receptor subunit gamma-1 | 1 |
| 17875639 | 10.1074/jbc.m707233200 | Unchecked | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| - | 10.6019/CHEMBL4296183 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296183 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296183 | Cryptococcus neoformans | 1 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
| - | 10.6019/CHEMBL4296183 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296183 | Pseudomonas aeruginosa | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine