| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3546379
Max Phase: Preclinical
Molecular Formula: C14H18N2
Molecular Weight: 214.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCC(Nc2cccc3c2CCC3)=N1
Standard InChI: InChI=1S/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
Standard InChI Key: HRZOPOFYPWUPEJ-UHFFFAOYSA-N
Associated Targets(Human)
Nischarin 304 Activities
Adrenergic receptor alpha-2 812 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 214.31 | Molecular Weight (Monoisotopic): 214.1470 | AlogP: 3.17 | #Rotatable Bonds: 1 |
| Polar Surface Area: 24.39 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.50 | CX LogP: 3.10 | CX LogD: 1.98 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.76 | Np Likeness Score: -0.52 |
References
| 1. (2016) Amino-pyrroline derivatives, and use thereof in the prevention and/or treatment of metabolic syndrome, |
Source
Source(1):