| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4104523
Max Phase: Preclinical
Molecular Formula: C16H18ClNO2
Molecular Weight: 255.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl.O=C(O)[C@@H]1C[C@@H](Cc2cccc3ccccc23)CN1
Standard InChI: InChI=1S/C16H17NO2.ClH/c18-16(19)15-9-11(10-17-15)8-13-6-3-5-12-4-1-2-7-14(12)13;/h1-7,11,15,17H,8-10H2,(H,18,19);1H/t11-,15+;/m1./s1
Standard InChI Key: YOXIJMDLCCIUPS-BTAXJDQBSA-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: 255.32 | Molecular Weight (Monoisotopic): 255.1259 | AlogP: 2.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 49.33 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.15 | CX Basic pKa: 11.46 | CX LogP: 0.36 | CX LogD: 0.36 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.89 | Np Likeness Score: 0.29 |
References
| 1. (2014) D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders, |
Source
Source(1):