Compound Detail
CHEMBL438605
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Basic Information
| ChEMBL ID | CHEMBL438605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPUDLEUZKVJXSZ-VPCXQMTMSA-N |
19
Targets
72
Activities
2
Assay Types
7
PK Parameters
20
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
-2.17
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 63 meas. best 7.52
IC50 9 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norovirus CHEMBL4296584 | EC50 | 7.52 | 5.7383 | 30.0 | 6 |
| Hepatitis C virus CHEMBL379 | EC50 | 7.4 | 5.8916 | 40.0 | 37 |
| Hepatitis C virus CHEMBL379 | IC50 | 6.14 | 6.025 | 730.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.78 | 5.3025 | 1670.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| dengue virus type 3 CHEMBL612717 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| dengue virus type 4 CHEMBL613728 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.55 | 5.25 | 2800.0 | 2 |
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| dengue virus type 1 CHEMBL613360 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.22 | 4.874 | 6000.0 | 5 |
| Poliovirus 1 CHEMBL613556 | EC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Tick-borne encephalitis virus CHEMBL4296604 | EC50 | 4.85 | 4.85 | 14200.0 | 1 |
| Mammalian orthoreovirus 1 CHEMBL612927 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Reovirus sp. CHEMBL613721 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.32 | 4.32 | 47400.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.32 | 4.32 | 47500.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.26 | 4.26 | 54400.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | EC50 | 4.03 | 4.03 | 94000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 30000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 74400.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 23790.09 | nM | Rattus norvegicus |
| Cmax | 293877.55 | nM | Rattus norvegicus |
| F | 33.6 | % | Rattus norvegicus |
| T1/2 | 7.1 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine