Compound Detail
CHEMBL1312303
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Basic Information
| ChEMBL ID | CHEMBL1312303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANRQEJCUVUFCLU-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.01
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.51
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.51 | 6.51 | 309.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.49 | 5.425 | 3242.0 | 2 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.34 | 5.34 | 4592.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.51 | 4.51 | 31161.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 309.0 | nM | 6.51 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 3242.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 4354.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 4592.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptococcus sp. 'group A' | EC50 | = | 31161.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine