Compound Detail
CHEMBL2024509
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
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL2024509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITEOHYCIFGQEBA-RUCARUNLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.20
ALogP
5
HBA
1
HBD
76.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | IC50 | = | 0.9 | nM | 9.05 | Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expresse... | 22537450 |
| D(2) dopamine receptor | IC50 | = | 135.0 | nM | 6.87 | Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membrane... | 22537450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(3) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(2) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine