Compound Detail
CHEMBL1340114
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Basic Information
| ChEMBL ID | CHEMBL1340114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQCKAZARIUTXKW-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
5.30
ALogP
4
HBA
1
HBD
63.1
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.89
IC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.89 | 5.565 | 130.0 | 2 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.01 | 4.87 | 9744.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.81 | 4.81 | 15398.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 130.0 | nM | 6.89 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | IC50 | = | 1850.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ant... | - |
| Streptokinase A | EC50 | = | 9744.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 15398.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 18762.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Unchecked | EC50 | = | 57762.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Data from ChEMBL 36 via Core Engine