Compound Detail
CHEMBL2289471
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Basic Information
| ChEMBL ID | CHEMBL2289471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUJLKPZRLDDTFO-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3139788 |
| Active Moiety | CHEMBL3139788 |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
190.1
MW (Da)
1.25
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398199 | 10.1021/jf305153h | Brassica rapa subsp. oleifera | 3 |
| 23398199 | 10.1021/jf305153h | Pyruvate dehydrogenase complex | 1 |
| 23398199 | 10.1021/jf305153h | Pisum sativum | 1 |
| 23398199 | 10.1021/jf305153h | Brassica juncea | 1 |
| 23398199 | 10.1021/jf305153h | Oryza sativa | 1 |
| 23398199 | 10.1021/jf305153h | Echinochloa crus-galli | 1 |
| 23398199 | 10.1021/jf305153h | Amaranthus retroflexus | 1 |
Data from ChEMBL 36 via Core Engine