Compound Detail
CHEMBL3197070
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Basic Information
| ChEMBL ID | CHEMBL3197070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHKNHJHCBOJBTD-LICLKQGHSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.37
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.32
IC50 2 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.32 | 5.885 | 475.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.27 | 6.27 | 540.3 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.71 | 5.71 | 1958.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.3 | 5.19 | 5060.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 475.0 | nM | 6.32 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| Unchecked | IC50 | = | 540.27 | nM | 6.27 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| BJ | EC50 | = | 844.0 | nM | 6.07 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Type-1 angiotensin II receptor | IC50 | = | 1958.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| BJ | EC50 | = | 1979.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| BJ | EC50 | = | 3532.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 5060.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 8270.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine