Compound Detail
CHEMBL5429614
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Basic Information
| ChEMBL ID | CHEMBL5429614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCYDTTQJILMJHW-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
3.17
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calf thymus DNA CHEMBL612514 | Kd | 6.66 | 5.126 | 220.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calf thymus DNA | Kd | = | 220.0 | nM | 6.66 | Binding affinity to calf thymus DNA assessed as dissociation constant | 37285507 |
| Calf thymus DNA | Kd | = | 11000.0 | nM | 4.96 | Binding affinity to calf thymus DNA assessed as dissociation constant measured a... | 37285507 |
| Calf thymus DNA | Kd | = | 12000.0 | nM | 4.92 | Binding affinity to calf thymus DNA assessed as dissociation constant by UV-Vis ... | 37285507 |
| Calf thymus DNA | Kd | = | 12000.0 | nM | 4.92 | Binding affinity to calf thymus DNA assessed as dissociation constant by reverse... | 37285507 |
| Calf thymus DNA | Kd | = | 67000.0 | nM | 4.17 | Binding affinity to calf thymus DNA assessed as dissociation constant measured a... | 37285507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37285507 | 10.1021/acs.jnatprod.2c01045 | Calf thymus DNA | 5 |
Data from ChEMBL 36 via Core Engine