| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644469
Max Phase: Preclinical
Molecular Formula: C23H26N4O3
Molecular Weight: 406.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1N1CCN(C(=O)c2ccc(-c3noc(=O)[nH]3)cc2)CC1
Standard InChI: InChI=1S/C23H26N4O3/c1-23(2,3)18-6-4-5-7-19(18)26-12-14-27(15-13-26)21(28)17-10-8-16(9-11-17)20-24-22(29)30-25-20/h4-11H,12-15H2,1-3H3,(H,24,25,29)
Standard InChI Key: VPBZQMLDJKTZOW-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: 406.49 | Molecular Weight (Monoisotopic): 406.2005 | AlogP: 3.29 | #Rotatable Bonds: 3 |
| Polar Surface Area: 82.44 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.92 | CX Basic pKa: 3.41 | CX LogP: 4.24 | CX LogD: 3.40 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.72 | Np Likeness Score: -1.42 |
References
| 1. (2014) Derivatives of N-acyl-N‚Ä=-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes, |
Source
Source(1):