Compound Detail
CHEMBL1702821
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Basic Information
| ChEMBL ID | CHEMBL1702821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJUXICAHHHJXOE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
4.21
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoethanolamine/phosphocholine phosphatase CHEMBL6113 | IC50 | 5.11 | 5.11 | 7810.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.03 | 5.0 | 9400.0 | 2 |
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 4.05 | 4.05 | 88100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoethanolamine/phosphocholine phosphatase | IC50 | = | 7810.0 | nM | 5.11 | PUBCHEM_BIOASSAY: SAR assay for compounds that inhibit PHOSPHO1. (Class of assay... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of human purified phosphomannose isomerase | 21539312 |
| Mannose-6-phosphate isomerase | IC50 | = | 10700.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| Phosphomannomutase 2 | IC50 | = | 88100.0 | nM | 4.05 | PUBCHEM_BIOASSAY: Counter screen SAR assay for PMM2 inhibitors via a fluorescenc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21539312 | 10.1021/jm101401a | Mannose-6-phosphate isomerase | 1 |
| 21539312 | 10.1021/jm101401a | Phosphomannomutase 2 | 1 |
Data from ChEMBL 36 via Core Engine