Compound Detail
CHEMBL228862
6-BENZYLAMINOPURINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL228862 |
| Name | 6-BENZYLAMINOPURINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWBJYWHLCVSVIJ-UHFFFAOYSA-N |
3
Targets
7
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
1.97
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Kd 2 meas. best 4.21
EC50 1 meas. best 6.38
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Kd | 4.21 | 4.21 | 62000.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | Kd | 3.61 | 3.61 | 247000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 420.0 | nM | 6.38 | Antiviral activity against Enterovirus 71 infected in human RD cells assessed as... | 26854380 |
| Cyclin-dependent kinase 2 | Kd | = | 62000.0 | nM | 4.21 | Binding affinity to human CDK2 by isothermal titration calorimetric analysis | - |
| Mitogen-activated protein kinase 1 | Kd | = | 247000.0 | nM | 3.61 | Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay | 26338362 |
Literature References
Data from ChEMBL 36 via Core Engine