Compound Detail
CHEMBL2376046
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CN(C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)CCN3CCN(C)CC3)cc2)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2376046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTMMDLGUGMUAND-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
594.8
MW (Da)
4.49
ALogP
8
HBA
3
HBD
105.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.83 | 5.355 | 1480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1480.0 | nM | 5.83 | Binding affinity to human biotinylated telomeric G-quadruplex 5'-d(GGG[TTAGGG]3)... | 23454529 |
| Unchecked | Kd | = | 13200.0 | nM | 4.88 | Binding affinity to biotinylated duplex DNA (unknown origin) by surface plasmon ... | 23454529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23454529 | 10.1016/j.ejmech.2013.01.051 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine