Compound Detail
CHEMBL1464544
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Basic Information
| ChEMBL ID | CHEMBL1464544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMJFGYOKXBCJOT-LCYFTJDESA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
306.5
MW (Da)
3.58
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.41
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.08 | 6.08 | 834.5 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.41 | 5.41 | 3852.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.33 | 5.305 | 4702.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 4.24 | 4.24 | 56971.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 834.53 | nM | 6.08 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3852.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 4702.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 5287.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus | EC50 | = | 56971.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine