Compound Detail
CHEMBL305579
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Basic Information
| ChEMBL ID | CHEMBL305579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMQGAZLVAUUHLW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
297.7
MW (Da)
4.45
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL4009 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of PS2 in spinach chloroplasts assessed as photoreduction of DCPIP in... | 24075143 |
| DNA polymerase catalytic subunit | IC50 | = | 37000.0 | nM | 4.43 | Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase | 10999475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24075143 | 10.1016/j.bmc.2013.08.030 | Unchecked | 3 |
| 10999475 | 10.1016/s0960-894x(00)00402-9 | DNA polymerase catalytic subunit | 1 |
| 24075143 | 10.1016/j.bmc.2013.08.030 | THP-1 | 1 |
| 24075143 | 10.1016/j.bmc.2013.08.030 | Mycolicibacterium smegmatis | 1 |
| 24075143 | 10.1016/j.bmc.2013.08.030 | Mycobacterium kansasii | 1 |
| 24075143 | 10.1016/j.bmc.2013.08.030 | Mycobacterium marinum | 1 |
| 24075143 | 10.1016/j.bmc.2013.08.030 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine