Compound Detail
CHEMBL259305
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL259305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYLAKNJXZFOMHN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
3.02
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.24
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.24 | 6.24 | 580.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 580.0 | nM | 6.24 | Antiviral activity against BVDV infected in MDBK cells assessed as reduction in ... | 18289862 |
| Bovine viral diarrhea virus 1 | EC50 | = | 580.0 | nM | 6.24 | Antiviral activity against bovine viral diarrhea virus 1 infected in MDBK cells ... | 30103193 |
| HL-60 | IC50 | = | 15300.0 | nM | 4.82 | Growth inhibition of human HL60 cells | 18289862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18289862 | 10.1016/j.bmc.2008.01.052 | Bovine viral diarrhea virus 1 | 1 |
| 18289862 | 10.1016/j.bmc.2008.01.052 | ADMET | 1 |
| 18289862 | 10.1016/j.bmc.2008.01.052 | Unchecked | 1 |
| 18289862 | 10.1016/j.bmc.2008.01.052 | HL-60 | 1 |
| 30103193 | 10.1016/j.ejmech.2018.08.015 | Bovine viral diarrhea virus 1 | 1 |
Data from ChEMBL 36 via Core Engine