| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4099659
Max Phase: Preclinical
Molecular Formula: C12H19NO2
Molecular Weight: 209.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(C(=O)O)C1C2CC3CC(C2)CC1C3
Standard InChI: InChI=1S/C12H19NO2/c13-11(12(14)15)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5,13H2,(H,14,15)
Standard InChI Key: QHBKDONXFKTUGL-UHFFFAOYSA-N
Associated Targets(non-human)
Amino acid transporter 271 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: 209.29 | Molecular Weight (Monoisotopic): 209.1416 | AlogP: 1.47 | #Rotatable Bonds: 2 |
| Polar Surface Area: 63.32 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.54 | CX Basic pKa: 9.57 | CX LogP: -0.86 | CX LogD: -0.87 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.72 | Np Likeness Score: 0.55 |
References
| 1. (2014) D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders, |
Source
Source(1):