Compound Detail
CHEMBL3326832
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
Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3326832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXWMOYGHYXDSBO-FQEVSTJZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
3.37
ALogP
5
HBA
3
HBD
117.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 2 CHEMBL5106 | Ki | 5.82 | 5.82 | 1504.0 | 1 |
| Neurotensin receptor type 2 CHEMBL5106 | IC50 | 5.48 | 5.48 | 3322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 2 | Ki | = | 1504.0 | nM | 5.82 | Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cel... | 25157640 |
| Neurotensin receptor type 2 | IC50 | = | 3322.0 | nM | 5.48 | Antagonist activity at rat NTS2 receptor expressed in CHO-K1 cells assessed as i... | 25157640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25157640 | 10.1021/jm500857r | Neurotensin receptor type 2 | 4 |
| 25157640 | 10.1021/jm500857r | Neurotensin receptor type 1 | 3 |
Data from ChEMBL 36 via Core Engine