Compound Detail
CHEMBL1430677
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Basic Information
| ChEMBL ID | CHEMBL1430677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKYBPHWVOXMRHI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.9
MW (Da)
4.22
ALogP
7
HBA
2
HBD
122.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 6.82 | 5.725 | 150.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 150.66 | nM | 6.82 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 23619.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine