Compound Detail
CHEMBL3741166
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Basic Information
| ChEMBL ID | CHEMBL3741166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAFATIOLXNKGBR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
4.45
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.49 | 5.465 | 3270.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.04483 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 3270.0 | nM | 5.49 | Antiviral activity against wild type Chikungunya virus IMT infected in HEK293T c... | 26540338 |
| NON-PROTEIN TARGET | EC50 | = | 3600.0 | nM | 5.44 | Antiviral activity against Chikungunya virus infected in HEK293T cells assessed ... | 26540338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26540338 | 10.1021/acs.jmedchem.5b01047 | NON-PROTEIN TARGET | 3 |
| 26540338 | 10.1021/acs.jmedchem.5b01047 | ADMET | 2 |
| 26540338 | 10.1021/acs.jmedchem.5b01047 | Unchecked | 1 |
| 28350454 | 10.1021/acs.jmedchem.7b00180 | Liver | 1 |
Data from ChEMBL 36 via Core Engine