Compound Detail
CHEMBL4206197
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CC(C)CN(CCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL4206197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAKJXZQHAJEJKS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.7
MW (Da)
4.46
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 3.0 | nM | 8.52 | Antiviral activity against HIV1 infected in human PBMC measured at 7 to 10 days ... | 29500940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29500940 | 10.1016/j.ejmech.2018.02.043 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine