Compound Detail
CHEMBL1302158
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Basic Information
| ChEMBL ID | CHEMBL1302158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBQAKCWLWNCHLC-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.0
MW (Da)
4.14
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.78
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.78 | 5.78 | 1671.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.58 | 5.38 | 2630.0 | 2 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.57 | 5.57 | 2718.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.5 | 5.5 | 3143.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.93 | 4.93 | 11617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1671.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 2630.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 2718.0 | nM | 5.57 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3143.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 6627.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Streptococcus | EC50 | = | 11617.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine