Compound Detail
CHEMBL1319643
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Basic Information
| ChEMBL ID | CHEMBL1319643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBMNUHXPDAGUEP-UHFFFAOYSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
70.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.01
IC50 3 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 7.01 | 7.01 | 98.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.96 | 6.96 | 109.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.61 | 6.61 | 245.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.86 | 5.86 | 1395.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.61 | 5.575 | 2460.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.17 | 4.17 | 67308.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 98.0 | nM | 7.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 109.0 | nM | 6.96 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 245.0 | nM | 6.61 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1395.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 2460.0 | nM | 5.61 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | IC50 | = | 2900.0 | nM | 5.54 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Unchecked | EC50 | = | 67308.0 | nM | 4.17 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Data from ChEMBL 36 via Core Engine