Compound Detail
CHEMBL38130
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 | CHEMBL38130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJWKPDMZHMZMRC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
5.25
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.25
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.6 | 7.27 | 25.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2096671 | Ki | 7.25 | 7.25 | 56.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.13 | 6.13 | 733.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 25.0 | nM | 7.6 | Binding affinity against sigma sites in guinea pig membrane using [3H]DTG as the... | 8426363 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 56.9 | nM | 7.25 | Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synapt... | 8496917 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 114.0 | nM | 6.94 | Binding affinity against sigma sites in guinea pig membrane using [3H](+)-3-PPP ... | 8426363 |
| D(2) dopamine receptor | Ki | = | 735.0 | nM | 6.13 | Binding affinity against dopamine receptor D2 from rat corpus striatum by using ... | 8496917 |
| D(2) dopamine receptor | Ki | = | 733.0 | nM | 6.13 | Binding affinity against D2 receptor in rat corpus striatum using [3H]sulpiride ... | 8426363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8426363 | 10.1021/jm00055a005 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8496917 | 10.1021/jm00062a023 | Serotonin 2 (5-HT2) receptor | 1 |
| 8496917 | 10.1021/jm00062a023 | D(2) dopamine receptor | 1 |
| 8426363 | 10.1021/jm00055a005 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine