Compound Detail
CHEMBL294989
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 | CHEMBL294989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBPJQFCAFFNICX-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.02
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.67
IC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | IC50 | = | 3.79 | nM | 8.42 | Antagonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as ... | 18849166 |
| Neurotensin receptor type 1 | EC50 | = | 216.0 | nM | 6.67 | Agonist activity at NTR1 expressed in CHOK1 cells by calcium mobilization assay | 19195889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18849166 | 10.1016/j.bmcl.2008.09.075 | Neurotensin receptor type 1 | 4 |
| 19195889 | 10.1016/j.bmcl.2009.01.024 | Neurotensin receptor type 1 | 2 |
| 32608236 | 10.1021/acs.jmedchem.9b02119 | Sialin | 1 |
Data from ChEMBL 36 via Core Engine