Compound Detail
CHEMBL1966869
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CCOC(=O)/C=c1\s/c(=C\c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1
Basic Information
| ChEMBL ID | CHEMBL1966869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEWSIJKERMBALI-GCHCWRHXSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
1.54
ALogP
8
HBA
1
HBD
95.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.15 | 5.15 | 7150.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.97 | 4.6667 | 10700.0 | 3 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.04 | 4.04 | 90417.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 7150.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Unchecked | EC50 | = | 10700.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 17400.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | EC50 | = | 54100.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| RNA-binding protein pos-1 | EC50 | = | 90417.0 | nM | 4.04 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine