Compound Detail
CHEMBL411489
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CN(C(=O)c1nc2ncccn2n1)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
Basic Information
| ChEMBL ID | CHEMBL411489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMLVZGWPKXNTHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
1.06
ALogP
10
HBA
2
HBD
147.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant HIV1 integrase strand transfer activity | 18217703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18217703 | 10.1021/jm701164t | Human immunodeficiency virus 1 | 2 |
| 18217703 | 10.1021/jm701164t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine