Compound Detail
CHEMBL1994036
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Basic Information
| ChEMBL ID | CHEMBL1994036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUPQYTORKCHMOD-YBFXNURJSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
4.00
ALogP
6
HBA
2
HBD
118.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ion channel NompC CHEMBL1293245 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.56 | 4.56 | 27330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ion channel NompC | EC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Aminopeptidase N | IC50 | = | 27330.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine