Compound Detail
CHEMBL3191846
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Basic Information
| ChEMBL ID | CHEMBL3191846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHIUFNZKXFDGDQ-RGVLZGJSSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.05
ALogP
8
HBA
1
HBD
86.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.13
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.45 | 5.45 | 3512.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.18 | 5.18 | 6675.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.13 | 5.13 | 7320.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.1 | 5.1 | 7933.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.01 | 5.01 | 9673.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.86 | 4.86 | 13811.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 3512.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 6675.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 7320.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Streptokinase A | EC50 | = | 7933.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 9673.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 13811.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine