Compound Detail
CHEMBL451665
AZADIRACHTIN B Enter ChEMBL ID:
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C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@]23CO[C@H](C(=O)OC)[C@H]2[C@](C)([C@]24O[C@@]2(C)[C@H]2C[C@@H]4O[C@@H]4OC=C[C@@]42O)[C@H](O)[C@@H]2OC[C@@]1(C(=O)OC)[C@H]23
Basic Information
| ChEMBL ID | CHEMBL451665 |
| Name | AZADIRACHTIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USRBWQQLHKQWAV-ZGKQVQOISA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
662.7
MW (Da)
-0.09
ALogP
14
HBA
3
HBD
189.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038546 | 10.1021/np050064t | Plutella xylostella | 4 |
| 27317644 | 10.1016/j.bmcl.2016.05.076 | Molecular identity unknown | 4 |
| 21381696 | 10.1021/np100783k | NON-PROTEIN TARGET | 2 |
| 27317644 | 10.1016/j.bmcl.2016.05.076 | Calvarial osteoblast | 2 |
| 21381696 | 10.1021/np100783k | HL-60 | 1 |
| 21381696 | 10.1021/np100783k | A549 | 1 |
| 21381696 | 10.1021/np100783k | SK-BR-3 | 1 |
| 12822931 | 10.1021/jf0342167 | Athelia rolfsii | 1 |
| 12822931 | 10.1021/jf0342167 | Rhizoctonia solani | 1 |
| 12822931 | 10.1021/jf0342167 | Rotylenchulus reniformis | 1 |
| 12822931 | 10.1021/jf0342167 | Caenorhabditis elegans | 1 |
| 27317644 | 10.1016/j.bmcl.2016.05.076 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine