Compound Detail
CHEMBL1509369
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Basic Information
| ChEMBL ID | CHEMBL1509369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGAOMWQWVIJILM-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
1.15
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.89
IC50 3 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.77 | 6.77 | 169.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.57 | 6.57 | 269.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.36 | 5.36 | 4420.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.14 | 5.14 | 7170.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 4.28 | 4.28 | 52900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 130.0 | nM | 6.89 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 169.0 | nM | 6.77 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 269.0 | nM | 6.57 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 4420.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 7170.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 52900.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine