Compound Detail
CHEMBL1976677
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Basic Information
| ChEMBL ID | CHEMBL1976677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJSNSDAGFGXYJR-UBKPWBPPSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.2
MW (Da)
2.23
ALogP
7
HBA
2
HBD
127.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.01
IC50 3 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.01 | 6.01 | 970.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.99 | 5.99 | 1019.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.73 | 5.73 | 1852.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.41 | 4.41 | 39100.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.3 | 4.3 | 49500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 970.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 1019.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1852.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| 72 kDa type IV collagenase | IC50 | = | 12500.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Prothrombin | IC50 | = | 39100.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 49500.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
Data from ChEMBL 36 via Core Engine