Compound Detail
CHEMBL3196324
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Basic Information
| ChEMBL ID | CHEMBL3196324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSRBRNVBHRBNOC-MOSHPQCFSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.53
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.34
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.34 | 5.885 | 455.0 | 4 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.46 | 5.46 | 3484.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 455.0 | nM | 6.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 585.0 | nM | 6.23 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 2880.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Type-1 angiotensin II receptor | IC50 | = | 3484.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Unchecked | EC50 | = | 3753.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
Data from ChEMBL 36 via Core Engine