Compound Detail
CHEMBL245900
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CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2s1)C[C@H](O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL245900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROOZBWRQVMVZNG-QHCPKHFHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
4.35
ALogP
6
HBA
2
HBD
74.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase catalytic subunit CHEMBL3414 | IC50 | 5.59 | 5.59 | 2550.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.14 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase catalytic subunit | IC50 | = | 2550.0 | nM | 5.59 | Inhibition of HCMV DNA polymerase by scintillation proximity assay | 17434304 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of VZV DNA polymerase by scintillation proximity assay | 17434304 |
| Unchecked | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of HSV1 DNA polymerase by scintillation proximity assay | 17434304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434304 | 10.1016/j.bmcl.2007.03.102 | Unchecked | 2 |
| 17434304 | 10.1016/j.bmcl.2007.03.102 | DNA polymerase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine