| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644480
Max Phase: Preclinical
Molecular Formula: C19H24N4O4
Molecular Weight: 372.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)C2NC(=O)NC2=O)CC1
Standard InChI: InChI=1S/C19H24N4O4/c1-19(2,3)12-6-4-5-7-13(12)22-8-10-23(11-9-22)17(26)15(24)14-16(25)21-18(27)20-14/h4-7,14H,8-11H2,1-3H3,(H2,20,21,25,27)
Standard InChI Key: IFHBRKLSHWPNNP-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: 372.43 | Molecular Weight (Monoisotopic): 372.1798 | AlogP: 0.41 | #Rotatable Bonds: 3 |
| Polar Surface Area: 98.82 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.24 | CX Basic pKa: 3.41 | CX LogP: 1.76 | CX LogD: 1.70 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.45 | Np Likeness Score: -0.80 |
References
| 1. (2014) Derivatives of N-acyl-N‚Ä=-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes, |
Source
Source(1):