Compound Detail
CHEMBL1373145
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Basic Information
| ChEMBL ID | CHEMBL1373145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGIHBMLNJBQIJZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.46
ALogP
9
HBA
2
HBD
121.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.62 | 4.62 | 24090.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.42 | 4.42 | 37873.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Envelope glycoprotein gp160 | IC50 | = | 11100.0 | nM | 4.96 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Aminopeptidase N | IC50 | = | 24090.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Unchecked | IC50 | = | 37873.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
Data from ChEMBL 36 via Core Engine