Name And Identifier
ID: ALA1760589
Name: FICUSESQUILIGNAN A
Max Phase: Preclinical
Molecular Formula: C31H36O11
Molecular Weight: 584.62
Molecule Type: Small molecule
Synonyms: ALA Synonyms(1):
Synonyms from Alternative Forms(1):Representations
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
Alternative Forms
Molecule Features
| Natural Product: Yes | Chemical Probe: No |
| Molecule Type: Small molecule | First In Class: No |
| Chirality: No | Prodrug: No |
| Oral: No | Parenteral: No |
| Topical: No | Black Box: No |
| Availability: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | Target Name | Target Type | Target Organism | Binding Site Name |
|---|
Activity Summary
| Bioactivity Summary | Count |
|---|---|
| IC50 | 5 |
| Assay Summary | Count |
|---|---|
| F-Functional | 5 |
Properties
| Molecular Weight: 584.62 | Molecular Weight (Monoisotopic): 584.2258 |
| AlogP: 3.68 | #Rotatable Bonds: 11 |
| Polar Surface Area: 145.53 | Molecular Species: NEUTRAL |
| HBA: 11 | HBD: 4 |
| #RO5 Violations: 2 | HBA (Lipinski): 11 |
| HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 9.21 | CX Basic pKa: |
| CX LogP: 2.27 | CX LogD: 2.26 |
| Aromatic Rings: 3 | Heavy Atoms: 42 |
| QED Weighted: 0.26 | Np Likeness Score: 1.19 |
References
| 1. Kim KH, Moon E, Choi SU, Kim SY, Lee KR.. (2011) . Biological evaluation of phenolic constituents from the trunk of Berberis koreana., 21 (8): [PMID:21420296] |
Source
Source(1):