| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4101153
Max Phase: Preclinical
Molecular Formula: C9H11NO4
Molecular Weight: 197.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(C(=O)O)c1ccc(CO)c(O)c1
Standard InChI: InChI=1S/C9H11NO4/c10-8(9(13)14)5-1-2-6(4-11)7(12)3-5/h1-3,8,11-12H,4,10H2,(H,13,14)
Standard InChI Key: JRBXPUUAYKCCLQ-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: 197.19 | Molecular Weight (Monoisotopic): 197.0688 | AlogP: -0.03 | #Rotatable Bonds: 3 |
| Polar Surface Area: 103.78 | Molecular Species: ACID | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.62 | CX Basic pKa: 8.24 | CX LogP: -2.54 | CX LogD: -2.60 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.54 | Np Likeness Score: 0.88 |
References
| 1. (2014) D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders, |
Source
Source(1):