Compound Detail
CHEMBL1300169
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Basic Information
| ChEMBL ID | CHEMBL1300169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHAQFNIPMCUMME-SFQUDFHCSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
4.34
ALogP
5
HBA
1
HBD
41.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.37
IC50 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.15 | 6.15 | 701.5 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.37 | 5.37 | 4301.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.26 | 5.26 | 5427.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.68 | 4.68 | 20722.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 701.49 | nM | 6.15 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Streptokinase A | EC50 | = | 4301.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5427.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 20722.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine