| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4535542
Max Phase: Preclinical
Molecular Formula: C15H14F2N2O3S
Molecular Weight: 340.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(CNS(=O)(=O)Cc1ccccc1)Nc1c(F)cccc1F
Standard InChI: InChI=1S/C15H14F2N2O3S/c16-12-7-4-8-13(17)15(12)19-14(20)9-18-23(21,22)10-11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,19,20)
Standard InChI Key: OQKFMNOGQRLOJK-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: 340.35 | Molecular Weight (Monoisotopic): 340.0693 | AlogP: 2.02 | #Rotatable Bonds: 6 |
| Polar Surface Area: 75.27 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.69 | CX Basic pKa: | CX LogP: 1.76 | CX LogD: 1.74 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.84 | Np Likeness Score: -1.87 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):