| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5289440
Max Phase: Preclinical
Molecular Formula: C15H14O2
Molecular Weight: 226.28
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=C/c2ccccc2)ccc1O
Standard InChI: InChI=1S/C15H14O2/c1-17-15-11-13(9-10-14(15)16)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
Standard InChI Key: NGWKZKAEKABLFG-BQYQJAHWSA-N
Associated Targets(non-human)
Trichostrongylus colubriformis 210 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 226.28 | Molecular Weight (Monoisotopic): 226.0994 | AlogP: 3.57 | #Rotatable Bonds: 3 |
| Polar Surface Area: 29.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.46 | CX Basic pKa: | CX LogP: 3.85 | CX LogD: 3.85 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.81 | Np Likeness Score: 0.54 |
References
| 1. Asakawa Y, Ludwiczuk A.. (2018) Chemical Constituents of Bryophytes: Structures and Biological Activity., 81 (3): [PMID:29019405] [10.1021/acs.jnatprod.6b01046] |
Source
Source(1):