Compound Detail
CHEMBL1725977
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Basic Information
| ChEMBL ID | CHEMBL1725977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCYIZAWNXFDTJT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.9
MW (Da)
4.51
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Phosphoethanolamine/phosphocholine phosphatase CHEMBL6113 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 5.03 | 5.03 | 9440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 1590.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| Phosphoethanolamine/phosphocholine phosphatase | IC50 | = | 8200.0 | nM | 5.09 | PUBCHEM_BIOASSAY: SAR assay for compounds that inhibit PHOSPHO1. (Class of assay... | - |
| Phosphomannomutase 2 | IC50 | = | 9440.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Counter screen SAR assay for PMM2 inhibitors via a fluorescenc... | - |
Data from ChEMBL 36 via Core Engine