Compound Detail
CHEMBL306643
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Basic Information
| ChEMBL ID | CHEMBL306643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCGVPCBVKFXEQA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
224.7
MW (Da)
3.25
ALogP
2
HBA
1
HBD
20.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine beta-hydroxylase CHEMBL2992 | IC50 | 4.02 | 4.02 | 95499.3 | 1 |
| Dopamine beta-hydroxylase CHEMBL3102 | IC50 | 4.02 | 4.02 | 95499.3 | 2 |
| Dopamine beta-hydroxylase CHEMBL4702 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine beta-hydroxylase | IC50 | = | 95499.26 | nM | 4.02 | Inhibition of dopamine beta hydroxylase | 7783140 |
| Dopamine beta-hydroxylase | IC50 | = | 95499.26 | nM | 4.02 | Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when admin... | 2296023 |
| Dopamine beta-hydroxylase | IC50 | = | 95499.26 | nM | 4.02 | Inhibition of dopamine beta-hydroxylase (DbetaH) enzyme | 9435905 |
| Dopamine beta-hydroxylase | IC50 | = | 96000.0 | nM | 4.02 | Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range i... | 3820219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3820219 | 10.1021/jm00386a008 | Dopamine beta-hydroxylase | 4 |
| 3820219 | 10.1021/jm00386a008 | Rattus norvegicus | 3 |
| 7783140 | 10.1021/jm00012a008 | Dopamine beta-hydroxylase | 1 |
| 2296023 | 10.1021/jm00163a045 | Dopamine beta-hydroxylase | 1 |
| 9435905 | 10.1021/jm970488n | Dopamine beta-hydroxylase | 1 |
| 3820219 | 10.1021/jm00386a008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine