Compound Detail
CHEMBL1734361
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1734361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOEHJLARIPTYHM-JXMROGBWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.56
ALogP
5
HBA
1
HBD
97.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8354.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.02 | 5.02 | 9511.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.93 | 4.93 | 11786.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.88 | 4.88 | 13202.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8354.0 | nM | 5.08 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| COUP transcription factor 2 | IC50 | = | 9511.0 | nM | 5.02 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 11786.0 | nM | 4.93 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM10: QFRET-based bi... | - |
| Tegument protein VP16 | IC50 | = | 13202.0 | nM | 4.88 | PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescenc... | - |
Data from ChEMBL 36 via Core Engine