Compound Detail
CHEMBL3627920
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N=C(N)c1ccc2nc(-c3ccc(OCc4cccc(COc5ccc(-c6nc7ccc(C(=N)N)cc7[nH]6)cc5)n4)cc3)[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL3627920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFFNKZAHSSQXEE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
607.7
MW (Da)
5.89
ALogP
7
HBA
6
HBD
188.4
PSA (Ų)
0.08
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 10.82 | 9.87 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 0.015 | nM | 10.82 | Binding affinity to biotinylated-hairpin oligomer duplex A4GT4 DNA (unknown orig... | 26051649 |
| Nucleic Acid | Kd | = | 1.2 | nM | 8.92 | Binding affinity to biotinylated-hairpin oligomer duplex A4IT4 DNA (unknown orig... | 26051649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26051649 | 10.1016/j.bmcl.2015.05.005 | Nucleic Acid | 10 |
| 26051649 | 10.1016/j.bmcl.2015.05.005 | DNA | 3 |
Data from ChEMBL 36 via Core Engine