| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4103658
Max Phase: Preclinical
Molecular Formula: C9H10ClNO2
Molecular Weight: 199.64
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C(N)C(=O)O)cc1Cl
Standard InChI: InChI=1S/C9H10ClNO2/c1-5-2-3-6(4-7(5)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
Standard InChI Key: FOLAWNHKMAFBKP-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: 199.64 | Molecular Weight (Monoisotopic): 199.0400 | AlogP: 1.73 | #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: 1.77 | CX Basic pKa: 8.57 | CX LogP: -0.36 | CX LogD: -0.38 |
| Aromatic Rings: 1 | Heavy Atoms: 13 | QED Weighted: 0.76 | Np Likeness Score: -0.67 |
References
| 1. (2014) D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders, |
Source
Source(1):