Compound Detail
CHEMBL358684
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Basic Information
| ChEMBL ID | CHEMBL358684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFZIPZIQIQTNQE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
431.3
MW (Da)
6.66
ALogP
4
HBA
2
HBD
53.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.69
IC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lyssavirus rabies CHEMBL4513192 | EC50 | 4.69 | 4.69 | 20600.0 | 1 |
| BT-20 CHEMBL613870 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lyssavirus rabies | EC50 | = | 20600.0 | nM | 4.69 | Antirabies activity against rabies CVS infected in golden hamster BSR cells prei... | 35279610 |
| BT-20 | IC50 | = | 21500.0 | nM | 4.67 | Cytotoxicity against human BT-20 cells incubated for 3 to 4 days by MTT assay | 34116325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3279207 | 10.1021/jm00398a013 | Mycolicibacterium smegmatis | 3 |
| 34116325 | 10.1016/j.ejmech.2021.113562 | Unchecked | 1 |
| 34116325 | 10.1016/j.ejmech.2021.113562 | BT-20 | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Unchecked | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Lyssavirus rabies | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine