Compound Detail
CHEMBL1550591
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Basic Information
| ChEMBL ID | CHEMBL1550591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEODVUVNVGIRIB-WJDWOHSUSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.56
ALogP
3
HBA
0
HBD
50.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.62
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.62 | 5.31 | 2384.0 | 2 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.18 | 5.18 | 6660.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.96 | 10160.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.97 | 4.97 | 10625.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 2384.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Neurotensin receptor type 1 | EC50 | = | 6660.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Streptokinase A | EC50 | = | 9972.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 10160.0 | nM | 4.99 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Streptococcus sp. 'group A' | EC50 | = | 10625.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 11630.0 | nM | 4.93 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine