| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644473
Max Phase: Preclinical
Molecular Formula: C16H22N2O3
Molecular Weight: 290.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)O)CC1
Standard InChI: InChI=1S/C16H22N2O3/c1-16(2,3)12-6-4-5-7-13(12)17-8-10-18(11-9-17)14(19)15(20)21/h4-7H,8-11H2,1-3H3,(H,20,21)
Standard InChI Key: MURIKLAHFUXOHA-UHFFFAOYSA-N
Associated Targets(Human)
Plasma retinol-binding protein 718 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: 290.36 | Molecular Weight (Monoisotopic): 290.1630 | AlogP: 1.72 | #Rotatable Bonds: 1 |
| Polar Surface Area: 60.85 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.79 | CX Basic pKa: 3.54 | CX LogP: 1.76 | CX LogD: -0.82 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: -0.89 |
References
| 1. (2014) Derivatives of N-acyl-N‚Ä=-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes, |
Source
Source(1):