| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644475
Max Phase: Preclinical
Molecular Formula: C21H27N3O
Molecular Weight: 337.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1
Standard InChI: InChI=1S/C21H27N3O/c1-21(2,3)18-11-7-8-12-19(18)23-13-15-24(16-14-23)20(25)22-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3,(H,22,25)
Standard InChI Key: YNQDPOCMUJDKQJ-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: 337.47 | Molecular Weight (Monoisotopic): 337.2154 | AlogP: 4.34 | #Rotatable Bonds: 2 |
| Polar Surface Area: 35.58 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.41 | CX Basic pKa: 3.41 | CX LogP: 4.61 | CX LogD: 4.61 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.88 | Np Likeness Score: -1.47 |
References
| 1. (2014) Derivatives of N-acyl-N‚Ä=-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes, |
Source
Source(1):