Compound Detail
CHEMBL1099316
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CC1CN(CCc2cc3cc(CN4CCOCC4)cc4c(=O)c(C(=O)NCc5ccc(Cl)cc5)cn2c34)CC(C)N1
Basic Information
| ChEMBL ID | CHEMBL1099316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYBPHJLGNUKZLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
576.1
MW (Da)
3.53
ALogP
7
HBA
2
HBD
78.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 200.0 | nM | 6.7 | Antiviral activity against HCMV Davis infected in HFF cells assessed as reductio... | 20403696 |
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Inhibition of HCMV DNA polymerase infected in HFF cells | 20403696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20403696 | 10.1016/j.bmcl.2010.03.115 | Unchecked | 1 |
| 20403696 | 10.1016/j.bmcl.2010.03.115 | Human betaherpesvirus 5 | 1 |
| 20403696 | 10.1016/j.bmcl.2010.03.115 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine