Compound Detail
CHEMBL3770406
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Basic Information
| ChEMBL ID | CHEMBL3770406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HERFVBIZLLFZOL-VZUCSPMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.92
ALogP
6
HBA
2
HBD
124.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Catechol O-methyltransferase CHEMBL2372 | IC50 | 6.82 | 6.82 | 151.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catechol O-methyltransferase | IC50 | = | 151.0 | nM | 6.82 | Inhibition of rat COMT | 26935940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26935940 | 10.1016/j.bmc.2016.02.030 | Catechol O-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine