Compound Detail
CHEMBL38243
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Basic Information
| ChEMBL ID | CHEMBL38243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAJOKVSLVAAJLL-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.93
ALogP
5
HBA
2
HBD
84.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.26
Ki 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N1E-115 CHEMBL612553 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| Neurotensin receptor CHEMBL2111438 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Neurotensin receptor type 1 CHEMBL3570 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Neurotensin receptor type 1 CHEMBL3027 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N1E-115 | Ki | = | 4400.0 | nM | 5.36 | Evaluated for its antagonistic activity against the NT-stimulated cyclic [3H]GMP... | - |
| Neurotensin receptor | IC50 | = | 5500.0 | nM | 5.26 | Compound was evaluated for its ability to displace [3H]NT from the neurotensin r... | - |
| Neurotensin receptor type 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory concentration required for the displacement of [3H]NT from neurotensi... | - |
| Neurotensin receptor type 1 | IC50 | = | 49000.0 | nM | 4.31 | Inhibitory concentration required for the displacement of [3H]NT from neurotensi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80423-0 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(00)80423-0 | Neurotensin receptor | 2 |
| - | 10.1016/S0960-894X(00)80423-0 | N1E-115 | 2 |
| - | 10.1016/S0960-894X(00)80423-0 | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine