Compound Detail
CHEMBL388341
BOLDINE METHIODIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL388341 |
| Name | BOLDINE METHIODIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JABUVDMKOLFKGM-UQKRIMTDSA-N |
| Parent Compound | CHEMBL1185088 |
| Active Moiety | CHEMBL1185088 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.01
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Ki 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]cytisine from human alpha-4-beta-2 nAChR expressed in SH-EP1... | 17391965 |
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 8200.0 | nM | 5.09 | Displacement of [3H]cytisine from human alpha-4-beta-2 nAChR expressed in SH-EP1... | 17391965 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 15000.0 | nM | 4.82 | Displacement of [125I]alpha-bungarotoxin from human alpha-7 nAChR expressed in S... | 17391965 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 18000.0 | nM | 4.75 | Displacement of [125I]alpha-bungarotoxin from human alpha-7 nAChR expressed in S... | 17391965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17391965 | 10.1016/j.bmc.2007.03.023 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 17391965 | 10.1016/j.bmc.2007.03.023 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
Data from ChEMBL 36 via Core Engine