Compound Detail
CHEMBL2376048
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CCN(CC)CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2-c2nc(NCCCN(C)C)c3ccccc3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL2376048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQLMDJGTYWASMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.2
MW (Da)
6.24
ALogP
7
HBA
3
HBD
102.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 302.0 | nM | 6.52 | 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