| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA435234
Max Phase: Preclinical
Molecular Formula: C13H20N2
Molecular Weight: 204.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(CCc2ccccc2)CC1
Standard InChI: InChI=1S/C13H20N2/c1-14-9-11-15(12-10-14)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
Standard InChI Key: DBGWPOIRMDKCHA-UHFFFAOYSA-N
Associated Targets(Human)
Dopamine receptor 115 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: 204.32 | Molecular Weight (Monoisotopic): 204.1626 | AlogP: 1.48 | #Rotatable Bonds: 3 |
| Polar Surface Area: 6.48 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.33 | CX LogP: 2.05 | CX LogD: 1.08 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.74 | Np Likeness Score: -1.09 |
References
| 1. Glennon RA, Salley JJ, Steinsland OS, Nelson S.. (1981) Synthesis and evaluation of novel alkylpiperazines as potential dopamine antagonists., 24 (6): [PMID:7252977] [10.1021/jm00138a007] |
Source
Source(1):