Compound Detail
CHEMBL91621
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 | CHEMBL91621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBRUCPZAISLOOV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.47
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.07 | 7.07 | 86.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 86.0 | nM | 7.07 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D2 stably... | 10411491 |
| D(4) dopamine receptor | Ki | = | 390.0 | nM | 6.41 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D4 stably... | 10411491 |
| D(3) dopamine receptor | Ki | = | 700.0 | nM | 6.16 | Affinity to displace [3H]spiperone from cloned human Dopamine receptor D3 (hD3) ... | 10411491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29547696 | 10.1021/acs.jmedchem.7b01277 | No relevant target | 2 |
| 10411491 | 10.1021/jm991029k | D(2) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | D(3) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | D(4) dopamine receptor | 1 |
| 10411491 | 10.1021/jm991029k | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
| 10411491 | 10.1021/jm991029k | Unchecked | 1 |
| 29547696 | 10.1021/acs.jmedchem.7b01277 | DCN1-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine