Compound Detail
CHEMBL2376051
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CN(C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)CCN3CCN(C)CC3)cc2)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2376051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLJVOVRSGZHKPB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
629.2
MW (Da)
5.14
ALogP
8
HBA
3
HBD
105.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.56 | 6.56 | 276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 276.0 | nM | 6.56 | Binding affinity to human biotinylated telomeric G-quadruplex 5'-d(GGG[TTAGGG]3)... | 23454529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23454529 | 10.1016/j.ejmech.2013.01.051 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine