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ID: ALA1717477
Max Phase: Preclinical
Molecular Formula: C14H14N2O2
Molecular Weight: 242.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C(=O)c1cc(C2CC2)on1)c1ccccc1
Standard InChI: InChI=1S/C14H14N2O2/c1-16(11-5-3-2-4-6-11)14(17)12-9-13(18-15-12)10-7-8-10/h2-6,9-10H,7-8H2,1H3
Standard InChI Key: GFNKYQBOUGORFC-UHFFFAOYSA-N
Associated Targets(Human)
Signal transducer and activator of transcription 1-alpha/beta 808 Activities
Signal transducer and activator of transcription 3 3313 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: 242.28 | Molecular Weight (Monoisotopic): 242.1055 | AlogP: 2.83 | #Rotatable Bonds: 3 |
| Polar Surface Area: 46.34 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.30 | CX LogD: 2.30 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.83 | Np Likeness Score: -1.84 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):