Compound Detail
CHEMBL11350
ONO-1078 Enter ChEMBL ID:
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O=C(NC1=CC=CC2C(=O)C=C(c3nn[nH]n3)OC12)c1ccc(OCCCCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL11350 |
| Name | ONO-1078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEOTZKLBJDSZEX-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
3.41
ALogP
7
HBA
2
HBD
119.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Kd 1 meas. best 4.85
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4295557 | Kd | 4.85 | 4.85 | 14100.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4295557 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Kd | = | 14100.0 | nM | 4.85 | Binding affinity to MERS-CoV papain-like protease by SPR analysis | 30940566 |
| Replicase polyprotein 1ab | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as s... | 30940566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940566 | 10.1016/j.bmc.2019.03.050 | Replicase polyprotein 1ab | 5 |
Data from ChEMBL 36 via Core Engine