Compound Detail
CHEMBL1359321
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Basic Information
| ChEMBL ID | CHEMBL1359321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYXJFGVZHAYZCA-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.63
ALogP
7
HBA
1
HBD
81.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.84
IC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.98 | 1058.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.84 | 5.84 | 1458.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.56 | 5.56 | 2743.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.3 | 5.3 | 5037.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.23 | 5.23 | 5878.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.23 | 5.23 | 5891.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1058.0 | nM | 5.98 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 1458.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptokinase A | EC50 | = | 2743.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5037.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 5891.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 5878.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine