Compound Detail
CHEMBL1090061
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O=C(NCc1ccc(Cl)cc1)c1cn2c3c(cc(CN4CCOCC4)cc3c1=O)N(CCCO)C(=O)C2
Basic Information
| ChEMBL ID | CHEMBL1090061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDDNMYZRXGOOED-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.0
MW (Da)
2.15
ALogP
7
HBA
2
HBD
104.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1840.0 | nM | 5.74 | Inhibition of HCMV recombinant DNA polymerase expressed in baculovirus infected ... | 20167488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20167488 | 10.1016/j.bmcl.2010.01.094 | Unchecked | 1 |
| 20167488 | 10.1016/j.bmcl.2010.01.094 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine