Compound Detail
CHEMBL1581581
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Basic Information
| ChEMBL ID | CHEMBL1581581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDCFSINNCBTHAU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.53
ALogP
6
HBA
0
HBD
65.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.24 | 4.775 | 5721.0 | 2 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 4.37 | 4.37 | 42234.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5721.0 | nM | 5.24 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 42234.0 | nM | 4.37 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Unchecked | IC50 | = | 49133.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Counterscreen for antagonists of the orexin 1 receptor (OX1R; ... | - |
Data from ChEMBL 36 via Core Engine