| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5283596
Max Phase: Preclinical
Molecular Formula: C17H24N2O2
Molecular Weight: 288.39
Associated Items:
Representations
Canonical SMILES: CC(CN1CCC2c3ccccc3OC(=O)C2C1)N(C)C
Standard InChI: InChI=1S/C17H24N2O2/c1-12(18(2)3)10-19-9-8-13-14-6-4-5-7-16(14)21-17(20)15(13)11-19/h4-7,12-13,15H,8-11H2,1-3H3
Standard InChI Key: GENXWZABKIXHQZ-UHFFFAOYSA-N
Associated Targets(Human)
Dopamine D4 receptor 7907 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 288.39 | Molecular Weight (Monoisotopic): 288.1838 | AlogP: 1.96 | #Rotatable Bonds: 3 |
| Polar Surface Area: 32.78 | Molecular Species: BASE | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.14 | CX LogP: 2.11 | CX LogD: 0.36 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.63 | Np Likeness Score: -0.13 |
References
| 1. Salehian F, Nadri H, Jalili-Baleh L, Youseftabar-Miri L, Abbas Bukhari SN, Foroumadi A, Tüylü Küçükkilinç T, Sharifzadeh M, Khoobi M.. (2021) A review: Biologically active 3,4-heterocycle-fused coumarins., 212 [PMID:33276991] [10.1016/j.ejmech.2020.113034] |
Source
Source(1):