Compound Detail
CHEMBL724
2-PIPERAZIN-1-YL-PYRIMIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL724 |
| Name | 2-PIPERAZIN-1-YL-PYRIMIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRBFGEHILMYPTF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
-0.11
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.85 | 5.85 | 1410.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1410.0 | nM | 5.85 | Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat br... | 3172131 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1412.54 | nM | 5.85 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3172131 | 10.1021/jm00118a018 | 5-hydroxytryptamine receptor 1A | 2 |
| 18768321 | 10.1016/j.bmc.2008.07.046 | GBM | 2 |
| 18768321 | 10.1016/j.bmc.2008.07.046 | HCT-116 | 2 |
| 18768321 | 10.1016/j.bmc.2008.07.046 | NON-PROTEIN TARGET | 2 |
| 22896728 | 10.1124/dmd.112.047316 | ADMET | 2 |
| 22896728 | 10.1124/dmd.112.047316 | Plasma | 2 |
| 1662725 | 10.1021/jm00116a003 | Sigma non-opioid intracellular receptor 1 | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
| 22896728 | 10.1124/dmd.112.047316 | Rattus norvegicus | 1 |
| 22896728 | 10.1124/dmd.112.047316 | Canis familiaris | 1 |
| 22896728 | 10.1124/dmd.112.047316 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine