Compound Detail
CHEMBL2206932
TAMIPHOSPHOR MONOETHYL ESTER Enter ChEMBL ID:
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CCOP(=O)(O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(=N)N)C1
Basic Information
| ChEMBL ID | CHEMBL2206932 |
| Name | TAMIPHOSPHOR MONOETHYL ESTER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRYSRHHJWNBUDF-RRFJBIMHSA-N |
6
Targets
13
Activities
2
Assay Types
30
PK Parameters
19
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
1.43
ALogP
5
HBA
5
HBD
146.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.85
IC50 6 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL1287610 | IC50 | 8.96 | 8.28 | 1.1 | 2 |
| Influenza A virus CHEMBL613740 | EC50 | 7.85 | 6.6671 | 14.0 | 7 |
| Neuraminidase CHEMBL1667683 | IC50 | 7.76 | 7.76 | 17.4 | 1 |
| Neuraminidase CHEMBL2046263 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.9 | 6.9 | 124.8 | 1 |
| Neuraminidase CHEMBL6135 | IC50 | 6.88 | 6.88 | 131.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 24641.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 24516.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 11561.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 11019.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 4763.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4610.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3170.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3168.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2629.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2575.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 541.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 529.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 390.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 389.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 77.9 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 69.6 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 6206.14 | nM | Canis lupus familiaris |
| Cmax | 2394.86 | nM | Mus musculus |
| Cmax | 1234.57 | nM | Rattus norvegicus |
| Cmax | 66.08 | nM | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| F | 100.0 | % | Rattus norvegicus |
| F | 100.0 | % | Mus musculus |
| F | 12.1 | % | Mus musculus |
| F | 11.2 | % | Canis lupus familiaris |
| F | 6.0 | % | Rattus norvegicus |
| F | 1.2 | % | Rattus norvegicus |
| Fu | 0.86 | - | Canis lupus familiaris |
| Fu | 0.86 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23009169 | 10.1021/jm3008486 | Rattus norvegicus | 31 |
| 23009169 | 10.1021/jm3008486 | Influenza A virus | 31 |
| 23009169 | 10.1021/jm3008486 | Mus musculus | 16 |
| 23009169 | 10.1021/jm3008486 | Canis familiaris | 15 |
| 23009169 | 10.1021/jm3008486 | Liver microsomes | 8 |
| 23009169 | 10.1021/jm3008486 | Neuraminidase | 5 |
| 23009169 | 10.1021/jm3008486 | ADMET | 3 |
| 23009169 | 10.1021/jm3008486 | Liver | 3 |
| 23009169 | 10.1021/jm3008486 | Plasma | 3 |
| 24836064 | 10.1016/j.ejmech.2014.04.082 | NON-PROTEIN TARGET | 3 |
| 23009169 | 10.1021/jm3008486 | No relevant target | 2 |
| 23009169 | 10.1021/jm3008486 | Blood | 2 |
| 23009169 | 10.1021/jm3008486 | Influenza B virus | 2 |
| 23009169 | 10.1021/jm3008486 | Unchecked | 1 |
| 23009169 | 10.1021/jm3008486 | MDCK | 1 |
| 24836064 | 10.1016/j.ejmech.2014.04.082 | HEK-293T | 1 |
| 24836064 | 10.1016/j.ejmech.2014.04.082 | MDCK | 1 |
| 24836064 | 10.1016/j.ejmech.2014.04.082 | ADMET | 1 |
| 24836064 | 10.1016/j.ejmech.2014.04.082 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine