| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644472
Max Phase: Preclinical
Molecular Formula: C27H37N3O2
Molecular Weight: 435.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccccc1N1CCN(C(=O)c2ccc(OCC3CCNCC3)cc2)CC1
Standard InChI: InChI=1S/C27H37N3O2/c1-27(2,3)24-6-4-5-7-25(24)29-16-18-30(19-17-29)26(31)22-8-10-23(11-9-22)32-20-21-12-14-28-15-13-21/h4-11,21,28H,12-20H2,1-3H3
Standard InChI Key: PLNKCMJDWHNSJP-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: 435.61 | Molecular Weight (Monoisotopic): 435.2886 | AlogP: 4.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 44.81 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.35 | CX LogP: 4.50 | CX LogD: 1.73 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.76 | Np Likeness Score: -1.04 |
References
| 1. (2014) Derivatives of N-acyl-N‚Ä=-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes, |
Source
Source(1):