Compound Detail
CHEMBL3781174
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Basic Information
| ChEMBL ID | CHEMBL3781174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTUBPFXGHMIPAY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
4.13
ALogP
3
HBA
2
HBD
41.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 5.21 | 5.01 | 6130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 6130.0 | nM | 5.21 | Antiviral activity against Human enterovirus 71 infected in monkey African green... | 26885567 |
| Enterovirus A71 | EC50 | = | 15430.0 | nM | 4.81 | Antiviral activity against Enterovirus 71 infected in human RD cells after 24 to... | 26885567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26885567 | 10.1021/acs.jmedchem.5b01803 | Enterovirus A71 | 2 |
| 26885567 | 10.1021/acs.jmedchem.5b01803 | Unchecked | 2 |
| 26885567 | 10.1021/acs.jmedchem.5b01803 | RD | 1 |
| 26885567 | 10.1021/acs.jmedchem.5b01803 | Vero | 1 |
Data from ChEMBL 36 via Core Engine