Compound Detail
CHEMBL1791300
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Basic Information
| ChEMBL ID | CHEMBL1791300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMMFJCJGTOFXDG-UHIISALHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
2.72
ALogP
7
HBA
1
HBD
73.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 4.06 | 4.06 | 86700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 86700.0 | nM | 4.06 | Anti BVDV activity in MDBK (Madin-darby bovine kidney) cells | 15456271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456271 | 10.1021/jm049677d | ADMET | 4 |
Data from ChEMBL 36 via Core Engine