Compound Detail
CHEMBL3315213
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Basic Information
| ChEMBL ID | CHEMBL3315213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSQPFBXZPKGBLR-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.67
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.36 | 5.36 | 4330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 4330.0 | nM | 5.36 | Agonist activity at NTSR1 (unknown origin) expressed in CHO cells assessed as po... | 24997685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24997685 | 10.1016/j.bmcl.2014.06.033 | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine