Compound Detail
CHEMBL1595152
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Basic Information
| ChEMBL ID | CHEMBL1595152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXEGYKRQQDMOPZ-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.7
MW (Da)
4.27
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.39
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.83 | 5.83 | 1463.8 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.39 | 5.36 | 4064.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.34 | 5.34 | 4613.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.89 | 4.89 | 12837.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1463.84 | nM | 5.83 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Streptokinase A | EC50 | = | 4064.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4613.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 4643.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 12837.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine