Compound Detail
CHEMBL1540815
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1540815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEXWIBSUYZXMOH-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.30
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.81
EC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 5.81 | 5.475 | 1535.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.18 | 5.18 | 6610.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.13 | 5.13 | 7383.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 1535.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| HEK293 | EC50 | = | 6610.0 | nM | 5.18 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 7300.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| HEK293 | IC50 | = | 7383.0 | nM | 5.13 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 7411.0 | nM | 5.13 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
Data from ChEMBL 36 via Core Engine