Compound Detail
CHEMBL480745
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COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN)c(NC(=O)CCCN(C)C)c3)n(C)c2c1
Basic Information
| ChEMBL ID | CHEMBL480745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONRXNJPPMRYHRV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.23
ALogP
8
HBA
2
HBD
108.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.52 | 5.52 | 3030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3030.0 | nM | 5.52 | Inhibition of HIV Tat/TAR complex formation by fluorescence quenching assay | 19109014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19109014 | 10.1016/j.bmcl.2008.12.034 | Human immunodeficiency virus 1 | 2 |
| 19109014 | 10.1016/j.bmcl.2008.12.034 | Unchecked | 1 |
| 19109014 | 10.1016/j.bmcl.2008.12.034 | Jurkat | 1 |
| 19109014 | 10.1016/j.bmcl.2008.12.034 | CCRF-CEM | 1 |
| 19109014 | 10.1016/j.bmcl.2008.12.034 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine