Compound Detail
CHEMBL5172819
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 | CHEMBL5172819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKPZUJWHJYTWEE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.58
ALogP
5
HBA
1
HBD
74.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.05
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| CHO-K1 CHEMBL614031 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cell... | 35176563 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 6900.0 | nM | 5.16 | Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 c... | 35176563 |
| CHO-K1 | IC50 | = | 89000.0 | nM | 4.05 | Cytotoxicity against CHO-K1 cells measured after 24 hrs by MTT assay | 35176563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35176563 | 10.1016/j.ejmech.2022.114193 | D(2) dopamine receptor | 1 |
| 35176563 | 10.1016/j.ejmech.2022.114193 | 5-hydroxytryptamine receptor 2A | 1 |
| 35176563 | 10.1016/j.ejmech.2022.114193 | 5-hydroxytryptamine receptor 3A | 1 |
| 35176563 | 10.1016/j.ejmech.2022.114193 | CHO-K1 | 1 |
| 35176563 | 10.1016/j.ejmech.2022.114193 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine