Compound Detail
CHEMBL3189736
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Basic Information
| ChEMBL ID | CHEMBL3189736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDHAVMZIEHDUSJ-RGEXLXHISA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.8
MW (Da)
1.53
ALogP
6
HBA
3
HBD
113.7
PSA (Ų)
0.25
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.16
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.16 | 5.16 | 6914.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.09 | 5.09 | 8154.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.33 | 4.33 | 47320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 6914.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 8154.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 47320.0 | nM | 4.33 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine