Compound Detail
CHEMBL1528787
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Basic Information
| ChEMBL ID | CHEMBL1528787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPXALAIYTFJSFZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.97
ALogP
7
HBA
1
HBD
80.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.41 | 5.41 | 3866.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 5.26 | 5.25 | 5459.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.43 | 36979.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 3866.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 5459.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 5728.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 36979.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Counterscreen for antagonists of the orexin 1 receptor (OX1R; ... | - |
Data from ChEMBL 36 via Core Engine