Compound Detail
CHEMBL3605597
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O=C(Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccccc2)c2cccc(F)c2)cc1)C1CCC1
Basic Information
| ChEMBL ID | CHEMBL3605597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBDCRYGUZZBQRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
590.7
MW (Da)
5.40
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of Tylonycteris bat coronavirus HKU4 N-terminal His6-tagged 3CLpro ex... | 26190463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26190463 | 10.1016/j.bmc.2015.06.039 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine