Compound Detail
CHEMBL1316798
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Basic Information
| ChEMBL ID | CHEMBL1316798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJDFQIXZPZCUIQ-DHDCSXOGSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
3.63
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.3 | 5.3 | 4962.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.17 | 4.96 | 6716.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.08 | 5.08 | 8370.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.8 | 4.8 | 15737.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.79 | 4.79 | 16054.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 4962.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptokinase A | EC50 | = | 6716.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 8370.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 15737.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Streptococcus | EC50 | = | 16054.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptokinase A | EC50 | = | 17807.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
Data from ChEMBL 36 via Core Engine