Compound Detail
CHEMBL2376062
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CCN(CC)CC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc(NCCCN(C)C)c3ccccc3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL2376062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVXJMSXEGQTEBP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
5.19
ALogP
7
HBA
3
HBD
102.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.08 | 5.0 | 8340.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 8340.0 | nM | 5.08 | Binding affinity to human biotinylated telomeric G-quadruplex 5'-d(GGG[TTAGGG]3)... | 23454529 |
| Unchecked | Kd | = | 11900.0 | nM | 4.92 | 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