Compound Detail
CHEMBL1304179
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Basic Information
| ChEMBL ID | CHEMBL1304179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUMIAJFEKXTUFO-RGEXLXHISA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
5.57
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.03
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.24 | 6.24 | 573.4 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.03 | 5.515 | 937.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.5 | 4.5 | 31931.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.38 | 4.38 | 41511.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 573.4 | nM | 6.24 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Unchecked | EC50 | = | 937.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 9890.0 | nM | 5.0 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Streptokinase A | EC50 | = | 31931.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus sp. 'group A' | EC50 | = | 41511.0 | nM | 4.38 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine