Compound Detail
CHEMBL499847
BAKUCHICIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL499847 |
| Name | BAKUCHICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMUJHZNYHJMOHR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
2.54
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.26 | 5.26 | 5440.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.45 | 4.45 | 35700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 1780.0 | nM | 5.75 | Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI inse... | 30686752 |
| Amine oxidase [flavin-containing] B | IC50 | = | 5440.0 | nM | 5.26 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI inse... | 30686752 |
| Acetylcholinesterase | IC50 | = | 35700.0 | nM | 4.45 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 30686752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Amine oxidase [flavin-containing] A | 3 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Amine oxidase [flavin-containing] B | 2 |
| 9544566 | 10.1021/np970488q | DNA topoisomerase 2-alpha | 1 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Unchecked | 1 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine