Compound Detail
CHEMBL1725457
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Basic Information
| ChEMBL ID | CHEMBL1725457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXYPHECATYPGTA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.7
MW (Da)
3.66
ALogP
7
HBA
0
HBD
108.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoethanolamine/phosphocholine phosphatase CHEMBL6113 | IC50 | 6.72 | 6.72 | 192.5 | 1 |
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoethanolamine/phosphocholine phosphatase | IC50 | = | 192.5 | nM | 6.72 | PUBCHEM_BIOASSAY: SAR assay for compounds that inhibit PHOSPHO1. (Class of assay... | - |
| Phosphomannomutase 2 | IC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Counter screen SAR assay for PMM2 inhibitors via a fluorescenc... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
Data from ChEMBL 36 via Core Engine