Compound Detail
CHEMBL362842
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Basic Information
| ChEMBL ID | CHEMBL362842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIXRHKKCEYODJB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
0.87
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA excision repair protein ERCC-5 CHEMBL4736 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA excision repair protein ERCC-5 | IC50 | = | 0.157 | nM | 9.8 | Inhibitory concentration against the xeroderma pigmentosum G | 15603939 |
| Tripartite terminase subunit 3 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of Human Cytomegalovirus C-terminal UL89 phosphorylation using (5-tcg... | 37827528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603939 | 10.1016/j.bmcl.2004.10.086 | Flap endonuclease 1 | 1 |
| 15603939 | 10.1016/j.bmcl.2004.10.086 | DNA excision repair protein ERCC-5 | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | ADMET | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Tripartite terminase subunit 3 | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Cytomegalovirus | 1 |
Data from ChEMBL 36 via Core Engine