| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
LANSIUMAMIDE B
ID: ALA2272423
Max Phase: Preclinical
Molecular Formula: C18H17NO
Molecular Weight: 263.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(/C=C\c1ccccc1)C(=O)/C=C/c1ccccc1
Standard InChI: InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14-
Standard InChI Key: VJGRWRRIAJQNFU-NQDQBVNISA-N
Associated Targets(non-human)
Bursaphelenchus xylophilus 372 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 263.34 | Molecular Weight (Monoisotopic): 263.1310 | AlogP: 3.83 | #Rotatable Bonds: 4 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.88 | CX LogD: 3.88 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.77 | Np Likeness Score: 0.28 |
References
| 1. Xiao Y, Yang X, Li B, Yuan H, Wan S, Xu Y, Qin Z.. (2011) Design, synthesis and antifungal/insecticidal evaluation of novel cinnamide derivatives., 16 (11): [PMID:22027951] [10.3390/molecules16118945] |
Source
Source(1):