| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5268621
Max Phase: Preclinical
Molecular Formula: C14H15N3O
Molecular Weight: 241.29
Associated Items:
Representations
Canonical SMILES: N=C(N)NCc1ccc(Oc2ccccc2)cc1
Standard InChI: InChI=1S/C14H15N3O/c15-14(16)17-10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H4,15,16,17)
Standard InChI Key: IMCAXVURDNJQFD-UHFFFAOYSA-N
Associated Targets(Human)
Protein argonaute-2 21 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: 241.29 | Molecular Weight (Monoisotopic): 241.1215 | AlogP: 2.46 | #Rotatable Bonds: 4 |
| Polar Surface Area: 71.13 | Molecular Species: BASE | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 11.87 | CX LogP: 2.27 | CX LogD: -0.15 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.57 | Np Likeness Score: -0.54 |
References
| 1. Van Meter EN, Onyango JA, Teske KA.. (2020) A review of currently identified small molecule modulators of microRNA function., 188 [PMID:31931338] [10.1016/j.ejmech.2019.112008] |
Source
Source(1):