Compound Detail
CHEMBL1372805
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Basic Information
| ChEMBL ID | CHEMBL1372805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYHJSCQFKPYRIH-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
5.50
ALogP
4
HBA
3
HBD
87.3
PSA (Ų)
0.47
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.12
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.12 | 6.12 | 756.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.95 | 5.78 | 1133.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.33 | 5.33 | 4653.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10075.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.69 | 19777.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 756.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 1133.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 2480.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus | EC50 | = | 4653.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 10075.0 | nM | 5.0 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| Unchecked | EC50 | = | 19777.0 | nM | 4.7 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 20791.0 | nM | 4.68 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine