Compound Detail
CHEMBL472487
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O=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL472487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLKATRWRBDGOIQ-DOZBRYHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.09
ALogP
5
HBA
2
HBD
113.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Simian immunodeficiency virus CHEMBL613499 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simian immunodeficiency virus | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against SIV-induced syncytium in human CEM174 cells assessed ... | 19297155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19297155 | 10.1016/j.bmcl.2009.02.116 | ADMET | 2 |
| 19297155 | 10.1016/j.bmcl.2009.02.116 | Simian immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine