Compound Detail
CHEMBL19063
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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL19063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLWQNHIFCXMHJH-BIVYAJRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
572.6
MW (Da)
2.56
ALogP
8
HBA
3
HBD
170.7
PSA (Ų)
0.20
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 100.0 | nM | 7.0 | Anti viral activity against human rhinovirus (HRV) in H1HeLa cells | 11591501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197964 | 10.1021/jm980537b | Human rhinovirus A protease | 4 |
| 10197965 | 10.1021/jm9805384 | Human rhinovirus A protease | 4 |
| 11591501 | 10.1016/s0960-894x(01)00542-x | HeLa | 2 |
| 11591501 | 10.1016/s0960-894x(01)00542-x | Human rhinovirus sp. | 1 |
Data from ChEMBL 36 via Core Engine