Compound Detail
CHEMBL1308547
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Basic Information
| ChEMBL ID | CHEMBL1308547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXZIBCLJLZKLCH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1616589 |
| Active Moiety | CHEMBL1616589 |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.41
ALogP
3
HBA
0
HBD
16.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.84
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.84 | 5.84 | 1437.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.075 | 3740.0 | 2 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.3 | 5.3 | 4971.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1.0 | nM | 9.0 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| G-protein coupled receptor 35 | IC50 | = | 1437.32 | nM | 5.84 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Unchecked | IC50 | = | 3740.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| COUP transcription factor 2 | IC50 | = | 4971.0 | nM | 5.3 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 19200.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine