Compound Detail
CHEMBL4564018
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Basic Information
| ChEMBL ID | CHEMBL4564018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNYUIIOBZLKBHI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
1.10
ALogP
9
HBA
0
HBD
91.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.06 | 5.06 | 8720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 8720.0 | nM | 5.06 | Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane... | 27658798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27658798 | 10.1016/j.bmc.2016.09.003 | Amine oxidase [flavin-containing] B | 2 |
| 27658798 | 10.1016/j.bmc.2016.09.003 | Adenosine receptor A1 | 2 |
| 27658798 | 10.1016/j.bmc.2016.09.003 | Adenosine receptor A2a | 2 |
| 27658798 | 10.1016/j.bmc.2016.09.003 | Adenosine receptor A2b | 2 |
| 27658798 | 10.1016/j.bmc.2016.09.003 | Amine oxidase [flavin-containing] A | 1 |
| 27658798 | 10.1016/j.bmc.2016.09.003 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine