Compound Detail
CHEMBL1200904
SELEGILINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
17
Publications
12
Known Names
2
Indications
1
Mechanisms
Molecular Properties
187.3
MW (Da)
2.18
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1989 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Monoamine oxidase B inhibitor | INHIBITOR | Amine oxidase [flavin-containing] B | ✓ | ✓ |
Indications
Marijuana Abuse Alzheimer Disease
Activity Summary
IC50 6 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 8.44 | 8.22 | 3.6 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.18 | 8.175 | 6.6 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.03 | 6.03 | 944.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 3.63 | nM | 8.44 | Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 mi... | 24955776 |
| Amine oxidase [flavin-containing] B | IC50 | = | 6.59 | nM | 8.18 | Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect c... | 24955776 |
| Amine oxidase [flavin-containing] B | IC50 | = | 6.79 | nM | 8.17 | Inhibition of human brain MAO-B using [14C]-phenylethylamine substrate after 20 ... | 24955776 |
| Amine oxidase [flavin-containing] B | IC50 | = | 9.97 | nM | 8.0 | Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cel... | 24955776 |
| Amine oxidase [flavin-containing] A | IC50 | = | 944.0 | nM | 6.03 | Inhibition of rat brain MAO-A using [14C]-5- hydroxytryptamine creatinine disulp... | 24955776 |
| Amine oxidase [flavin-containing] A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human brain MAO-A using [14C]-5- hydroxytryptamine creatinine disu... | 24955776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24955776 | 10.1021/jm500729a | Amine oxidase [flavin-containing] B | 4 |
| 24955776 | 10.1021/jm500729a | Amine oxidase [flavin-containing] A | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20829430 | 10.1093/toxsci/kfq269 | Bile salt export pump | 1 |
| 23956101 | 10.1093/toxsci/kft176 | Bile salt export pump | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 2 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 3 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 4 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Staphylococcus aureus | 1 |
| 24955776 | 10.1021/jm500729a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine