Compound Detail
CHEMBL4764135
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Basic Information
| ChEMBL ID | CHEMBL4764135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJBFZHNCSGBLEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
2.08
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine beta-hydroxylase CHEMBL4702 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine beta-hydroxylase | IC50 | = | 39.0 | nM | 7.41 | Inhibition of bovine adrenal medulla DBH incubated for 25 mins | 33120080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33120080 | 10.1016/j.bmc.2020.115820 | Rattus norvegicus | 3 |
| 33120080 | 10.1016/j.bmc.2020.115820 | ADMET | 1 |
| 33120080 | 10.1016/j.bmc.2020.115820 | Dopamine beta-hydroxylase | 1 |
Data from ChEMBL 36 via Core Engine