Compound Detail
CHEMBL448932
HERBARUMIN III Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL448932 |
| Name | HERBARUMIN III |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWZXZFNLDPFUKQ-NAJRYUOPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
212.3
MW (Da)
2.19
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amaranthus hypochondriacus CHEMBL613799 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amaranthus hypochondriacus | IC50 | = | 20000.0 | nM | 4.7 | Phytotoxicity against Amaranthus hypochondriacus seedlings assessed as inhibitio... | 12713403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12713403 | 10.1021/np020501t | Amaranthus hypochondriacus | 1 |
| 12713403 | 10.1021/np020501t | Calmodulin | 1 |
Data from ChEMBL 36 via Core Engine