Compound Detail
CHEMBL160038
NEBICAPONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL160038 |
| Name | NEBICAPONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MRFOLGFFTUGAEB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
2
Known Names
1
Indications
1
Mechanisms
Molecular Properties
273.2
MW (Da)
2.43
ALogP
5
HBA
2
HBD
100.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Catechol O-methyltransferase inhibitor | INHIBITOR | Catechol O-methyltransferase | ✓ | ✓ |
Indications
Parkinson Disease
Activity Summary
IC50 4 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Catechol O-methyltransferase CHEMBL2372 | IC50 | 8.43 | 7.295 | 3.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catechol O-methyltransferase | IC50 | = | 3.7 | nM | 8.43 | Inhibition of Catechol O-methyltransferase activity in rat brain | 11806720 |
| Catechol O-methyltransferase | IC50 | = | 690.0 | nM | 6.16 | Inhibitory activity against COMT in rat liver | 16335931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806720 | 10.1021/jm0109964 | Catechol O-methyltransferase | 13 |
| 16335931 | 10.1021/jm0580454 | Catechol O-methyltransferase | 13 |
| 20334432 | 10.1021/jm1001524 | Mus musculus | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine