Compound Detail
CHEMBL3325905
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3325905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHMQCSCPZGQBBF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.9
MW (Da)
5.28
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.99 | 7.99 | 10.3 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.56 | 6.56 | 277.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.32 | 6.32 | 479.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 10.3 | nM | 7.99 | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cel... | 25076379 |
| D(1A) dopamine receptor | Ki | = | 277.0 | nM | 6.56 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... | 25076379 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 479.0 | nM | 6.32 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor expressed in CHO cell memb... | 25076379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25076379 | 10.1016/j.ejmech.2014.07.059 | D(1A) dopamine receptor | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | D(2) dopamine receptor | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | D(3) dopamine receptor | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | 5-hydroxytryptamine receptor 1A | 1 |
| 25076379 | 10.1016/j.ejmech.2014.07.059 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine