Compound Detail
CHEMBL1571574
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Basic Information
| ChEMBL ID | CHEMBL1571574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSDCCDQDEKHOBB-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
3.75
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.93
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 6.05 | 5.46 | 881.3 | 2 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.93 | 5.93 | 1186.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.29 | 5.29 | 5099.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 881.28 | nM | 6.05 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Luciferin 4-monooxygenase | EC50 | = | 1186.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 5099.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 13522.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine