Compound Detail
CHEMBL1441897
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 | CHEMBL1441897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIXJFFXXLOPVMW-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.83
ALogP
4
HBA
1
HBD
75.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.58
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.28 | 4.77 | 5278.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.16 | 5.16 | 6959.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.73 | 4.73 | 18689.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.21 | 4.21 | 62010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 2600.0 | nM | 5.58 | Antiviral activity against Yellow fever virus 17D vaccine (Stamaril Pasteur J07B... | 29028528 |
| Streptokinase A | EC50 | = | 5278.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 6959.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 18689.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptokinase A | EC50 | = | 55151.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Aminopeptidase N | IC50 | = | 62010.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Unchecked | 3 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Yellow fever virus | 2 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | BHK-21 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | dengue virus type 2 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | West Nile virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Bovine viral diarrhea virus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | MT4 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human immunodeficiency virus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Mammalian orthoreovirus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vero 76 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Enterovirus C | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vaccinia virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human alphaherpesvirus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vesicular stomatitis Indiana virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human orthopneumovirus | 1 |
Data from ChEMBL 36 via Core Engine