| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4103869
Max Phase: Preclinical
Molecular Formula: C11H13Cl2NO3
Molecular Weight: 241.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl.O=C(O)[C@@H]1C[C@@H](Oc2cccc(Cl)c2)CN1
Standard InChI: InChI=1S/C11H12ClNO3.ClH/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9;/h1-4,9-10,13H,5-6H2,(H,14,15);1H/t9-,10+;/m1./s1
Standard InChI Key: UKPGMXGYVXPVBI-UXQCFNEQSA-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: 241.67 | Molecular Weight (Monoisotopic): 241.0506 | AlogP: 1.53 | #Rotatable Bonds: 3 |
| Polar Surface Area: 58.56 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.27 | CX Basic pKa: 10.65 | CX LogP: -0.78 | CX LogD: -0.78 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.84 | Np Likeness Score: -0.17 |
References
| 1. (2014) D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders, |
Source
Source(1):