Compound Detail
CHEMBL1600459
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 | CHEMBL1600459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXHRXGAOJPZWMK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.82
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.02
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.02 | 6.02 | 960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 960.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 25801156 | 10.1016/j.bmc.2015.02.054 | Unchecked | 1 |
| 25801156 | 10.1016/j.bmc.2015.02.054 | ADMET | 1 |
| 25801156 | 10.1016/j.bmc.2015.02.054 | Metabotropic glutamate receptor 5 | 1 |
| 29792714 | 10.1021/acs.jmedchem.8b00204 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine