| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644476
Max Phase: Preclinical
Molecular Formula: C17H24N6O
Molecular Weight: 328.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1N1CCN(C(=O)Cc2nnn[nH]2)CC1
Standard InChI: InChI=1S/C17H24N6O/c1-17(2,3)13-6-4-5-7-14(13)22-8-10-23(11-9-22)16(24)12-15-18-20-21-19-15/h4-7H,8-12H2,1-3H3,(H,18,19,20,21)
Standard InChI Key: NHHIJGZBBDURFV-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: 328.42 | Molecular Weight (Monoisotopic): 328.2012 | AlogP: 1.39 | #Rotatable Bonds: 3 |
| Polar Surface Area: 78.01 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.01 | CX Basic pKa: 3.41 | CX LogP: 2.03 | CX LogD: 0.62 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.92 | Np Likeness Score: -1.77 |
References
| 1. (2014) Derivatives of N-acyl-N‚Ä=-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes, |
Source
Source(1):