| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2272237
Max Phase: Preclinical
Molecular Formula: C15H17NO5
Molecular Weight: 291.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(C)OC(=O)C(C)ON1C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C15H17NO5/c1-4-9(2)20-15(19)10(3)21-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-10H,4H2,1-3H3
Standard InChI Key: SYFDHFHXRNAVCZ-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: 291.30 | Molecular Weight (Monoisotopic): 291.1107 | AlogP: 1.94 | #Rotatable Bonds: 5 |
| Polar Surface Area: 72.91 | Molecular Species: | 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: 2.56 | CX LogD: 2.56 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.61 | Np Likeness Score: -0.18 |
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):