Compound Detail
CHEMBL3403508
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Basic Information
| ChEMBL ID | CHEMBL3403508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSBWPDIMEMXMDN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.66
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.02
Ki 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 2 CHEMBL5106 | EC50 | 6.02 | 6.02 | 951.0 | 1 |
| Neurotensin receptor type 2 CHEMBL5106 | Ki | 5.2 | 5.2 | 6339.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 2 | EC50 | = | 951.0 | nM | 6.02 | Agonist activity at rat NTS2 overexpressed in CHO-k1 cells assessed as calcium m... | 25881832 |
| Neurotensin receptor type 2 | Ki | = | 6339.0 | nM | 5.2 | Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by... | 25881832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25881832 | 10.1016/j.bmcl.2015.03.083 | Neurotensin receptor type 2 | 3 |
| 25881832 | 10.1016/j.bmcl.2015.03.083 | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine