Compound Detail
CHEMBL1534949
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Basic Information
| ChEMBL ID | CHEMBL1534949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFIBBYANFXZDMS-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.15
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.85
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.85 | 5.85 | 1401.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.61 | 5.33 | 2468.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.56 | 5.56 | 2750.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.24 | 5.24 | 5706.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 5.0 | 5.0 | 10040.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.37 | 4.37 | 42400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1401.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 2468.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2750.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 5706.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 8870.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| H9c2 | IC50 | = | 10040.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| C-C chemokine receptor type 6 | IC50 | = | 42400.0 | nM | 4.37 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27012524 | 10.1016/j.ejmech.2016.02.048 | Mus musculus | 3 |
Data from ChEMBL 36 via Core Engine