Compound Detail
CHEMBL3099771
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COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)cn1-c1ccnc2cc(Cl)ccc12
Basic Information
| ChEMBL ID | CHEMBL3099771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIBAQVBOESAWHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
587.1
MW (Da)
5.77
ALogP
7
HBA
2
HBD
115.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 46000.0 | nM | 4.34 | Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP rep... | 24332089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24332089 | 10.1016/j.bmcl.2013.11.026 | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine