Compound Detail
CHEMBL383195
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O=[N+]([O-])c1ccc(/C=N/c2nc(NC3CC3)c3ncn(C4C=CC(CO)C4)c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL383195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNSGWDPGDCUTPF-LSHDLFTRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
3.17
ALogP
9
HBA
2
HBD
131.4
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 520.0 | nM | 6.28 | Antiviral activity against HIV1 replication in CEM cell line | 16458506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16458506 | 10.1016/j.bmcl.2006.01.050 | Human immunodeficiency virus 1 | 1 |
| 16458506 | 10.1016/j.bmcl.2006.01.050 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine