Compound Detail
CHEMBL2002008
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Basic Information
| ChEMBL ID | CHEMBL2002008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZAIYIJVMUBWDP-LICLKQGHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.37
ALogP
4
HBA
2
HBD
61.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.15 | 6.15 | 702.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.03 | 6.03 | 929.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.41 | 5.41 | 3911.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.75 | 4.75 | 17902.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 702.0 | nM | 6.15 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 929.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Troponin, cardiac muscle | EC50 | = | 3911.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptococcus | EC50 | = | 10100.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 17902.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
Data from ChEMBL 36 via Core Engine