Compound Detail
CHEMBL1308223
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Basic Information
| ChEMBL ID | CHEMBL1308223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYEVXHKHHRCOPM-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
1.89
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.26 | 5.685 | 552.0 | 4 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.18 | 5.18 | 6561.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 552.0 | nM | 6.26 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Unchecked | IC50 | = | 797.0 | nM | 6.1 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| COUP transcription factor 2 | IC50 | = | 6561.0 | nM | 5.18 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 68700.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
Data from ChEMBL 36 via Core Engine