Compound Detail
CHEMBL3780418
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CC(C)CN(CCC[C@H](NC(=O)c1ccc(CNCc2ncc[nH]2)cc1)C(=O)N[C@@H](C)c1cccc2ccccc12)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL3780418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HONDONWIFJXYKS-GVYVVWIYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
610.9
MW (Da)
6.22
ALogP
5
HBA
4
HBD
102.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.17 | 8.17 | 6.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 6.7 | nM | 8.17 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as reduc... | 26974376 |
| Human immunodeficiency virus 1 | EC50 | = | 6.7 | nM | 8.17 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 29500940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26974376 | 10.1016/j.ejmech.2016.02.051 | Human immunodeficiency virus 1 | 1 |
| 29500940 | 10.1016/j.ejmech.2018.02.043 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine