| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4553345
Max Phase: Preclinical
Molecular Formula: C17H20N2O3S
Molecular Weight: 332.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccccc2)cc1
Standard InChI: InChI=1S/C17H20N2O3S/c1-13-8-10-16(11-9-13)23(21,22)18-12-17(20)19-14(2)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3,(H,19,20)/t14-/m0/s1
Standard InChI Key: WITPNCPOSYVJAA-AWEZNQCLSA-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: 332.43 | Molecular Weight (Monoisotopic): 332.1195 | AlogP: 2.15 | #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: 10.38 | CX Basic pKa: | CX LogP: 2.35 | CX LogD: 2.35 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.85 | Np Likeness Score: -1.68 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):