Compound Detail
CHEMBL1544163
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1544163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVRKGBLBLCFCQC-LCYFTJDESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.24
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.2 | 5.2 | 6314.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.0 | 4.0 | 99650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 6314.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Aminopeptidase N | IC50 | = | 99650.0 | nM | 4.0 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine