Compound Detail
CHEMBL3407588
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Basic Information
| ChEMBL ID | CHEMBL3407588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAMCYDVYIMMVEU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
5.87
ALogP
6
HBA
0
HBD
42.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells pre... | 25418133 |
| Amine oxidase [flavin-containing] A | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells pre... | 25418133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25418133 | 10.1021/jm501501a | Amine oxidase [flavin-containing] B | 2 |
| 25418133 | 10.1021/jm501501a | Amine oxidase [flavin-containing] A | 2 |
| 25418133 | 10.1021/jm501501a | Cholinesterase | 1 |
| - | 10.6019/CHEMBL4513135 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513135 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513135 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513135 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513135 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513135 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513135 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine