Compound Detail
CHEMBL312411
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c1ccc(-c2ccc(C(c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL312411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLWAOIOYJZOAMQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
522.7
MW (Da)
6.39
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus CHEMBL613750 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Enterovirus CHEMBL613749 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus | IC50 | = | 310.0 | nM | 6.51 | Inhibitory concentration to prevent formation of Coxsackievirus B3 (CVB3) plaque... | 15109643 |
| Enterovirus | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory concentration to prevent formation of Enterovirus (EV 71) plaques | 15109643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109643 | 10.1016/j.bmcl.2004.02.092 | Enterovirus | 1 |
| 15109643 | 10.1016/j.bmcl.2004.02.092 | Coxsackievirus | 1 |
| 15109643 | 10.1016/j.bmcl.2004.02.092 | Rhabdomyosarcoma cell | 1 |
Data from ChEMBL 36 via Core Engine