Compound Detail
CHEMBL4868989
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Basic Information
| ChEMBL ID | CHEMBL4868989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVYBMKRQMXDKJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.85
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.42 | 7.42 | 38.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 37.48 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 38.0 | nM | 7.42 | Anti wolbachia activity against Wolbachia infected in Aedes albopictus C6/36 ass... | 34527179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34527179 | 10.1021/acsmedchemlett.1c00216 | ADMET | 3 |
| 34527179 | 10.1021/acsmedchemlett.1c00216 | No relevant target | 2 |
| 34527179 | 10.1021/acsmedchemlett.1c00216 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine