Compound Detail
CHEMBL1704102
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Basic Information
| ChEMBL ID | CHEMBL1704102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCBIJQMMXLMHSB-FLIBITNWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.6
MW (Da)
3.76
ALogP
6
HBA
0
HBD
68.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.13 | 5.13 | 7370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphomannomutase 2 | IC50 | = | 4800.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Counter screen SAR assay for PMM2 inhibitors via a fluorescenc... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 7370.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
Data from ChEMBL 36 via Core Engine