Compound Detail
CHEMBL5568951
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[Br-].c1ccc([P+](Cc2c3ccccc3cc3ccccc23)(c2ccccc2)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5568951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKHUISHGJCJNDB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL6069950 |
| Active Moiety | CHEMBL6069950 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
7.49
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA CHEMBL6066605 | Kd | 5.06 | 5.015 | 8800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA | Kd | = | 8800.0 | nM | 5.06 | Binding affinity to biotin-labeled G5 of MDMX (unknown origin) immobilized on SA... | 38295687 |
| RNA | Kd | = | 10600.0 | nM | 4.97 | Binding affinity to biotin-labeled G1 of MDM2 (unknown origin) immobilized on SA... | 38295687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38295687 | 10.1016/j.ejmech.2024.116156 | RNA | 4 |
| 38295687 | 10.1016/j.ejmech.2024.116156 | quadruplex DNA | 2 |
| 38295687 | 10.1016/j.ejmech.2024.116156 | Quadruplex RNA | 1 |
Data from ChEMBL 36 via Core Engine