Compound Detail
CHEMBL1584229
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Basic Information
| ChEMBL ID | CHEMBL1584229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVNVGMWYUUAXPA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.12
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.09
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.09 | 6.09 | 808.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.1 | 5.1 | 7877.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.68 | 4.68 | 21016.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 808.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 7877.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptococcus sp. 'group A' | EC50 | = | 21016.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine