Compound Detail
CHEMBL1705518
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Basic Information
| ChEMBL ID | CHEMBL1705518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCYYCTWKTBNBOC-WSDLNYQXSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
4.47
ALogP
7
HBA
2
HBD
84.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.5
IC50 2 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.5 | 5.5 | 3197.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.44 | 5.44 | 3602.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.27 | 5.27 | 5348.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.01 | 4.985 | 9869.0 | 2 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 3197.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3602.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 5348.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 9869.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 11034.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Prothrombin | IC50 | = | 17500.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 17400.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
Data from ChEMBL 36 via Core Engine