Compound Detail
CHEMBL1711360
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Basic Information
| ChEMBL ID | CHEMBL1711360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBJHRNPBEIJPHJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
3.71
ALogP
7
HBA
1
HBD
79.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.44 | 6.44 | 362.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.29 | 4.91 | 510.0 | 3 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.57 | 5.57 | 2705.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 362.58 | nM | 6.44 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Unchecked | IC50 | = | 510.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| COUP transcription factor 2 | IC50 | = | 2705.0 | nM | 5.57 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 52700.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 69900.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
Data from ChEMBL 36 via Core Engine