Compound Detail
CHEMBL1513705
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Basic Information
| ChEMBL ID | CHEMBL1513705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZRJRZXGUYBCGF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
3.18
ALogP
8
HBA
2
HBD
112.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.42 | 5.0033 | 380.0 | 3 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.6 | 5.6 | 2538.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.4 | 4.4 | 39900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 380.0 | nM | 6.42 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| COUP transcription factor 2 | IC50 | = | 2538.0 | nM | 5.6 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 36900.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 39900.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | IC50 | = | 69100.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of both... | - |
Data from ChEMBL 36 via Core Engine