Compound Detail
CHEMBL1352830
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Basic Information
| ChEMBL ID | CHEMBL1352830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTQZVPQAJQHJLJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
211.7
MW (Da)
2.41
ALogP
3
HBA
2
HBD
41.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.45 | 5.45 | 3560.0 | 1 |
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 4.81 | 4.81 | 15627.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 1940.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| Leucine aminopeptidase | IC50 | = | 3560.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Aspartyl aminopeptidase | IC50 | = | 15627.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QF... | - |
Data from ChEMBL 36 via Core Engine