| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1402515
Max Phase: Preclinical
Molecular Formula: C18H19N3O3
Molecular Weight: 325.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)C1CCCN(c2ncnc3c2oc2ccccc23)C1
Standard InChI: InChI=1S/C18H19N3O3/c1-2-23-18(22)12-6-5-9-21(10-12)17-16-15(19-11-20-17)13-7-3-4-8-14(13)24-16/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
Standard InChI Key: XJAIOXRLSLOVEV-UHFFFAOYSA-N
Associated Targets(Human)
Neuropeptide S receptor 15785 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: 325.37 | Molecular Weight (Monoisotopic): 325.1426 | AlogP: 3.16 | #Rotatable Bonds: 3 |
| Polar Surface Area: 68.46 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.27 | CX LogP: 3.05 | CX LogD: 3.05 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.69 | Np Likeness Score: -1.16 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):