Compound Detail
CHEMBL164791
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL164791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOCFYLGZVCPZML-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
190.3
MW (Da)
2.59
ALogP
2
HBA
1
HBD
20.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine beta-hydroxylase CHEMBL2992 | IC50 | 4.96 | 4.72 | 11000.0 | 2 |
| Dopamine beta-hydroxylase CHEMBL4702 | IC50 | 4.5 | 4.5 | 32000.0 | 3 |
| Dopamine beta-hydroxylase CHEMBL3102 | IC50 | 4.48 | 4.48 | 33113.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine beta-hydroxylase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Valu... | 3612682 |
| Dopamine beta-hydroxylase | IC50 | = | 32000.0 | nM | 4.5 | Inhibitory activity was determined against bovine dopamine beta-hydroxylase (DBH... | 2299645 |
| Dopamine beta-hydroxylase | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of Dopamine beta hydroxylase. | 3783606 |
| Dopamine beta-hydroxylase | IC50 | = | 32000.0 | nM | 4.5 | Inhibitory Concentration against bovine v (DBH); Range is between (20-46). | 3820219 |
| Dopamine beta-hydroxylase | IC50 | = | 33113.11 | nM | 4.48 | Inhibition of dopamine beta hydroxylase | 7783140 |
| Dopamine beta-hydroxylase | IC50 | = | 33113.11 | nM | 4.48 | Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when admin... | 2296023 |
| Dopamine beta-hydroxylase | IC50 | = | 33113.11 | nM | 4.48 | Inhibition of dopamine beta-hydroxylase (DbetaH) enzyme | 9435905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3989820 | 10.1021/jm50001a012 | Mus musculus | 6 |
| 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 |
| 3612682 | 10.1021/jm00391a008 | Dopamine beta-hydroxylase | 1 |
| 2299645 | 10.1021/jm00164a051 | Dopamine beta-hydroxylase | 1 |
| 9435905 | 10.1021/jm970488n | Dopamine beta-hydroxylase | 1 |
| 3783606 | 10.1021/jm00162a008 | Dopamine beta-hydroxylase | 1 |
| 3820219 | 10.1021/jm00386a008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine