| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4533181
Max Phase: Preclinical
Molecular Formula: C17H21N3O4S
Molecular Weight: 363.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cccc(NC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c1
Standard InChI: InChI=1S/C17H21N3O4S/c1-13-6-8-16(9-7-13)25(22,23)19-11-10-18-17(21)20-14-4-3-5-15(12-14)24-2/h3-9,12,19H,10-11H2,1-2H3,(H2,18,20,21)
Standard InChI Key: NRZFZAFEZOWVFW-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: 363.44 | Molecular Weight (Monoisotopic): 363.1253 | AlogP: 2.10 | #Rotatable Bonds: 7 |
| Polar Surface Area: 96.53 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.40 | CX Basic pKa: | CX LogP: 2.09 | CX LogD: 2.09 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.66 | Np Likeness Score: -2.01 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):