| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4100815
Max Phase: Preclinical
Molecular Formula: C13H15ClN2O2
Molecular Weight: 230.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl.N#Cc1ccc(C[C@H]2CN[C@H](C(=O)O)C2)cc1
Standard InChI: InChI=1S/C13H14N2O2.ClH/c14-7-10-3-1-9(2-4-10)5-11-6-12(13(16)17)15-8-11;/h1-4,11-12,15H,5-6,8H2,(H,16,17);1H/t11-,12+;/m1./s1
Standard InChI Key: FRODNUGAMWRMKQ-LYCTWNKOSA-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: 230.27 | Molecular Weight (Monoisotopic): 230.1055 | AlogP: 1.16 | #Rotatable Bonds: 3 |
| Polar Surface Area: 73.12 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.31 | CX Basic pKa: 11.47 | CX LogP: -0.77 | CX LogD: -0.77 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.82 | Np Likeness Score: 0.06 |
References
| 1. (2014) D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders, |
Source
Source(1):