Compound Detail
CHEMBL1334768
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Basic Information
| ChEMBL ID | CHEMBL1334768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALETZOQAGIEADS-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.1
MW (Da)
2.52
ALogP
3
HBA
2
HBD
41.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DCN1-like protein 1 CHEMBL4105838 | IC50 | 7.07 | 6.985 | 86.0 | 2 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.21 | 5.025 | 6150.0 | 2 |
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 4.62 | 4.62 | 24123.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DCN1-like protein 1 | IC50 | = | 86.05 | nM | 7.07 | Inhibition of recombinant human His-tagged DCN1 (58 to 259 residues) expressed i... | 33756127 |
| DCN1-like protein 1 | IC50 | = | 126.99 | nM | 6.9 | Inhibition of recombinant human His-tagged DCN1 (58 to 259 residues) expressed i... | 33756127 |
| Leucine aminopeptidase | IC50 | = | 2220.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 6150.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 14492.0 | nM | 4.84 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Aspartyl aminopeptidase | IC50 | = | 24123.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QF... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33756127 | 10.1016/j.ejmech.2021.113326 | DCN1-like protein 1 | 2 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine