Compound Detail
CHEMBL463444
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 | CHEMBL463444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDDPVXHWOABQJQ-ZIAGYGMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.01
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amaranthus hypochondriacus CHEMBL613799 | IC50 | 5.49 | 5.49 | 3250.0 | 1 |
| Echinochloa crus-galli CHEMBL612343 | IC50 | 5.21 | 5.21 | 6190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amaranthus hypochondriacus | IC50 | = | 3250.0 | nM | 5.49 | Phytotoxicity against Amaranthus hypochondriacus assessed as inhibition of radic... | 12088423 |
| Echinochloa crus-galli | IC50 | = | 6190.0 | nM | 5.21 | Phytotoxicity against Echinochloa crus-galli assessed as inhibition of radicle e... | 12088423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12088423 | 10.1021/np010448t | Amaranthus hypochondriacus | 2 |
| 12088423 | 10.1021/np010448t | Echinochloa crus-galli | 2 |
| 12088423 | 10.1021/np010448t | Calmodulin | 2 |
Data from ChEMBL 36 via Core Engine