Compound Detail
CHEMBL2334661
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Basic Information
| ChEMBL ID | CHEMBL2334661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGVFBUYNEPBFQT-UHFFFAOYSA-N |
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.03
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor SOX-18 CHEMBL4523220 | IC50 | 5.48 | 4.795 | 3300.0 | 4 |
| Transcription factor SOX-18 CHEMBL4523228 | IC50 | 5.28 | 4.645 | 5200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor SOX-18 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of SOX18 in HUVEC assessed as reduction of SOX18-SOX18 interactions i... | - |
| Transcription factor SOX-18 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of mouse SOX18 expressed in African green monkey COS7 cells assessed ... | - |
| Transcription factor SOX-18 | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of SOX18 in HUVEC assessed as reduction of SOX18-DDX17 interactions i... | - |
| Transcription factor SOX-18 | IC50 | = | 19600.0 | nM | 4.71 | Inhibition of SOX18 in HUVEC assessed as reduction of SOX18-SOX7 interactions in... | - |
| Transcription factor SOX-18 | IC50 | = | 65900.0 | nM | 4.18 | Inhibition of SOX18 in HUVEC assessed as reduction of SOX18-RBPJ interactions in... | - |
| Transcription factor SOX-18 | IC50 | = | 97500.0 | nM | 4.01 | Competitive binding affinity to full-length mouse SOX18 expressed in Sf9 cells a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23416004 | 10.1016/j.bmcl.2013.01.074 | Staphylococcus aureus | 3 |
| 23416004 | 10.1016/j.bmcl.2013.01.074 | HepG2 | 1 |
| 23416004 | 10.1016/j.bmcl.2013.01.074 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine