Compound Detail
CHEMBL1995726
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Basic Information
| ChEMBL ID | CHEMBL1995726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWCXEFGKGPBFIY-LICLKQGHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.10
ALogP
7
HBA
1
HBD
87.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.07
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 5.14 | 5.14 | 7294.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.07 | 5.07 | 8510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 7294.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Neurotensin receptor type 1 | EC50 | = | 8510.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
Data from ChEMBL 36 via Core Engine