Compound Detail
CHEMBL553812
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Basic Information
| ChEMBL ID | CHEMBL553812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQZCJNGTIUNBBL-ALFLHYLISA-N |
| Parent Compound | CHEMBL1195076 |
| Active Moiety | CHEMBL1195076 |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
1.38
ALogP
11
HBA
3
HBD
168.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | EC50 | 4.62 | 4.62 | 24200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 34.0 | hr | - |
| T1/2 | 93.7 | hr | - |
| T1/2 | 27.0 | hr | - |
| T1/2 | 19.9 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | EC50 | = | 24200.0 | nM | 4.62 | Compound was tested for its antiviral activity against HSV-1(KOS strain) in vero... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00329-0 | ADMET | 4 |
| - | 10.1016/0960-894X(96)00329-0 | Vero | 1 |
| - | 10.1016/0960-894X(96)00329-0 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine