Compound Detail
CHEMBL3746041
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CNC(=O)c1cc(-c2ncc(OC)c3c(C(=O)C(=O)N4CCc5c(cccc5-c5ccccn5)C4)c[nH]c23)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL3746041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICUHAQXRTXCCMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.15
ALogP
7
HBA
3
HBD
146.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.85 | 9.85 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.14 | nM | 9.85 | Antiviral activity against HIV-1 expressing JRFL envelope infected in human HeLa... | 26584882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26584882 | 10.1016/j.bmcl.2015.11.009 | Liver microsome | 2 |
| 26584882 | 10.1016/j.bmcl.2015.11.009 | Human immunodeficiency virus 1 | 1 |
| 26584882 | 10.1016/j.bmcl.2015.11.009 | HeLa | 1 |
| 26584882 | 10.1016/j.bmcl.2015.11.009 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine