Compound Detail
CHEMBL183018
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Basic Information
| ChEMBL ID | CHEMBL183018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUZMLYLMMBDHSZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.2
MW (Da)
1.62
ALogP
6
HBA
2
HBD
92.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 50000.0 | nM | 4.3 | inhibitory concentration against RNA dependent RNA polymerase Nonstructural prot... | 15380204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380204 | 10.1016/j.bmcl.2004.07.075 | RNA-directed RNA polymerase | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | DNA excision repair protein ERCC-1/DNA repair endonuclease XPF | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | Flap endonuclease 1 | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | Deoxyribonuclease-1 | 1 |
Data from ChEMBL 36 via Core Engine