Compound Detail
CHEMBL2003808
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Basic Information
| ChEMBL ID | CHEMBL2003808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSYRQEZOOHPBDK-ZVHZXABRSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
4.28
ALogP
6
HBA
2
HBD
117.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.22
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.22 | 6.22 | 603.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.74 | 5.74 | 1831.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.58 | 5.58 | 2650.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 603.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1831.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 2650.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Prothrombin | IC50 | = | 10700.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 14800.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
Data from ChEMBL 36 via Core Engine