| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2354573
Max Phase: Preclinical
Molecular Formula: C16H20F2N2O3
Molecular Weight: 326.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CNCc1c(F)cccc1F)N1CCC2(CC1)OCCO2
Standard InChI: InChI=1S/C16H20F2N2O3/c17-13-2-1-3-14(18)12(13)10-19-11-15(21)20-6-4-16(5-7-20)22-8-9-23-16/h1-3,19H,4-11H2
Standard InChI Key: ADTNFLMDPQOMNH-UHFFFAOYSA-N
Associated Targets(Human)
Probable global transcription activator SNF2L2 466 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: 326.34 | Molecular Weight (Monoisotopic): 326.1442 | AlogP: 1.42 | #Rotatable Bonds: 4 |
| Polar Surface Area: 50.80 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.70 | CX LogP: 1.60 | CX LogD: 1.52 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.91 | Np Likeness Score: -1.57 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):