| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644474
Max Phase: Preclinical
Molecular Formula: C19H29N3O4S
Molecular Weight: 395.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1N1CCN(C(=O)CCC(=O)NS(C)(=O)=O)CC1
Standard InChI: InChI=1S/C19H29N3O4S/c1-19(2,3)15-7-5-6-8-16(15)21-11-13-22(14-12-21)18(24)10-9-17(23)20-27(4,25)26/h5-8H,9-14H2,1-4H3,(H,20,23)
Standard InChI Key: MQYFHFBBMOWNAD-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: 395.53 | Molecular Weight (Monoisotopic): 395.1879 | AlogP: 1.49 | #Rotatable Bonds: 5 |
| Polar Surface Area: 86.79 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.16 | CX Basic pKa: 3.33 | CX LogP: 0.89 | CX LogD: 0.26 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.82 | Np Likeness Score: -1.24 |
References
| 1. (2014) Derivatives of N-acyl-N‚Ä=-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes, |
Source
Source(1):