| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2272246
Max Phase: Preclinical
Molecular Formula: C18H15NO5
Molecular Weight: 325.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)C(ON1C(=O)c2ccccc2C1=O)c1ccccc1
Standard InChI: InChI=1S/C18H15NO5/c1-2-23-18(22)15(12-8-4-3-5-9-12)24-19-16(20)13-10-6-7-11-14(13)17(19)21/h3-11,15H,2H2,1H3
Standard InChI Key: WJFKOZLEUKXWRW-UHFFFAOYSA-N
Associated Targets(non-human)
Lepidium sativum 398 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: 325.32 | Molecular Weight (Monoisotopic): 325.0950 | AlogP: 2.52 | #Rotatable Bonds: 5 |
| Polar Surface Area: 72.91 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.99 | CX LogD: 2.99 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.62 | Np Likeness Score: -0.37 |
References
| 1. Takekida Y, Okazaki M, Shuto Y.. (1999) Effect of Optically Active Ethyl 2-Phthalimidooxypropionate on the Growth of Cress, Lepidium sativum., 63 (10): [PMID:26300175] [10.1271/bbb.63.1831] |
Source
Source(1):