Compound Detail
CHEMBL1075816
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C[C@@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccccc1)NC[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL1075816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFTMRBQKFYPYBN-LHCWLBPOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
875.2
MW (Da)
3.63
ALogP
12
HBA
12
HBD
222.2
PSA (Ų)
0.03
QED
3
Ro5 Violations
30
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.41 | 5.41 | 3940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 3940.0 | nM | 5.41 | Inhibition of fluorescein labeled Tat-peptide binding to HIV1 TAR RNA after 60 m... | 19896372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19896372 | 10.1016/j.bmcl.2009.10.078 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine