Compound Detail
CHEMBL3327281
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CCN1c2ncccc2NC(=O)c2cc(NCCNc3cc4c(cc3N)c(=O)c(C(=O)O)cn4C)cnc21
Basic Information
| ChEMBL ID | CHEMBL3327281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWXZIENDQAZOKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
2.86
ALogP
10
HBA
5
HBD
167.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.13 | 4.13 | 73400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 73400.0 | nM | 4.13 | Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 using dsD... | 25127466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25127466 | 10.1016/j.bmc.2014.07.018 | Human immunodeficiency virus 1 | 1 |
| 25127466 | 10.1016/j.bmc.2014.07.018 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 25127466 | 10.1016/j.bmc.2014.07.018 | Human immunodeficiency virus 2 | 1 |
| 25127466 | 10.1016/j.bmc.2014.07.018 | MT4 | 1 |
| 25127466 | 10.1016/j.bmc.2014.07.018 | Protein Tat | 1 |
Data from ChEMBL 36 via Core Engine