Compound Detail
CHEMBL3195767
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Basic Information
| ChEMBL ID | CHEMBL3195767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZDQUZYIATYIIL-HPWKYORPSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.2
MW (Da)
3.68
ALogP
3
HBA
3
HBD
56.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.96
IC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.96 | 6.96 | 109.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.35 | 6.35 | 448.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 3989.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 5.11 | 5.11 | 7797.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.84 | 4.84 | 14283.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 109.0 | nM | 6.96 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 150.0 | nM | 6.82 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 448.0 | nM | 6.35 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 3989.0 | nM | 5.4 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| NS3 | IC50 | = | 7797.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 14283.0 | nM | 4.84 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
Data from ChEMBL 36 via Core Engine