Compound Detail
CHEMBL518675
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CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL518675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWBJCBBPHILPEC-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.9
MW (Da)
5.87
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.92 | 5.92 | 1214.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 1214.0 | nM | 5.92 | 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