Compound Detail
CHEMBL152329
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Basic Information
| ChEMBL ID | CHEMBL152329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURWKRABGYYBMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
5.01
ALogP
5
HBA
0
HBD
52.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Human rhinovirus sp. CHEMBL612470 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 80.0 | nM | 7.1 | In vitro concentration required to achieve 50% protection of HeLa cells from HRV... | 7877145 |
| Human rhinovirus sp. | EC50 | = | 540.0 | nM | 6.27 | In vitro concentration required to achieve 50% protection of HeLa cells from HRV... | 7877145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81153-7 | Vero | 6 |
| - | 10.1016/S0960-894X(01)81153-7 | HeLa | 2 |
| 7877145 | 10.1021/jm00005a007 | HeLa | 2 |
| 7877145 | 10.1021/jm00005a007 | Human rhinovirus sp. | 2 |
| - | 10.1016/S0960-894X(01)81153-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine