Compound Detail
CHEMBL1439904
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Basic Information
| ChEMBL ID | CHEMBL1439904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZZLHIZFGQDPLE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.8
MW (Da)
3.70
ALogP
7
HBA
2
HBD
112.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL4869 | IC50 | 5.77 | 5.77 | 1691.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3164.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.72 | 4.72 | 19250.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 4.53 | 4.53 | 29660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | IC50 | = | 1691.0 | nM | 5.77 | PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... | - |
| Leucine aminopeptidase | IC50 | = | 2500.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Unchecked | IC50 | = | 3164.0 | nM | 5.5 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 19250.0 | nM | 4.72 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Mitogen-activated protein kinase 10 | IC50 | = | 29660.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
Data from ChEMBL 36 via Core Engine