Compound Detail
CHEMBL464011
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CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL464011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEGYBOFPNDMHLK-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.9
MW (Da)
4.97
ALogP
5
HBA
2
HBD
97.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.69 | 5.69 | 2043.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 2043.0 | nM | 5.69 | Agonist activity at NTR1 expressed in CHOK1 cells by calcium mobilization assay | 19195889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19195889 | 10.1016/j.bmcl.2009.01.024 | Neurotensin receptor type 1 | 3 |
Data from ChEMBL 36 via Core Engine