| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3210346
Max Phase: Preclinical
Molecular Formula: C13H15NO4
Molecular Weight: 249.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(CNc1cc(=O)oc2ccccc12)OC
Standard InChI: InChI=1S/C13H15NO4/c1-16-13(17-2)8-14-10-7-12(15)18-11-6-4-3-5-9(10)11/h3-7,13-14H,8H2,1-2H3
Standard InChI Key: VEBFJVDTROUKFH-UHFFFAOYSA-N
Associated Targets(Human)
Importin subunit beta-1/Snurportin-1 25097 Activities
Associated Targets(non-human)
Inositol monophosphatase 1 16203 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 249.27 | Molecular Weight (Monoisotopic): 249.1001 | AlogP: 1.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 60.70 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.06 | CX LogD: 1.06 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.65 | Np Likeness Score: -0.28 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):