| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4472949
Max Phase: Preclinical
Molecular Formula: C16H17NO4S
Molecular Weight: 319.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(CNS(=O)(=O)Cc1ccccc1)OCc1ccccc1
Standard InChI: InChI=1S/C16H17NO4S/c18-16(21-12-14-7-3-1-4-8-14)11-17-22(19,20)13-15-9-5-2-6-10-15/h1-10,17H,11-13H2
Standard InChI Key: YZLMYYFNNYXOOR-UHFFFAOYSA-N
Associated Targets(Human)
Serine racemase 249 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 319.38 | Molecular Weight (Monoisotopic): 319.0878 | AlogP: 1.85 | #Rotatable Bonds: 7 |
| Polar Surface Area: 72.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.49 | CX Basic pKa: | CX LogP: 1.91 | CX LogD: 1.88 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.79 | Np Likeness Score: -1.18 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):