Compound Detail
CHEMBL534122
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Basic Information
| ChEMBL ID | CHEMBL534122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKTCZTBRNBJWBP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
2.07
ALogP
7
HBA
6
HBD
114.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.09 | 5.015 | 8060.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 8060.0 | nM | 5.09 | Binding affinity to biotin labelled 5'-CATATATATCCCCATATATATG-3' hairpin dsDNA (... | - |
| Unchecked | Kd | = | 11600.0 | nM | 4.94 | Binding affinity to biotin labelled 5'-CGAATTCGTCTCCGAATTCG-3' hairpin dsDNA (un... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00292C | Unchecked | 6 |
| 24900577 | 10.1021/ml300326v | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine