| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4558529
Max Phase: Preclinical
Molecular Formula: C17H19Cl2N3O4S
Molecular Weight: 432.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(S(=O)(=O)NCCCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Standard InChI: InChI=1S/C17H19Cl2N3O4S/c1-26-13-4-6-14(7-5-13)27(24,25)21-10-2-9-20-17(23)22-12-3-8-15(18)16(19)11-12/h3-8,11,21H,2,9-10H2,1H3,(H2,20,22,23)
Standard InChI Key: UBPMOAODMPNQIR-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: 432.33 | Molecular Weight (Monoisotopic): 431.0473 | AlogP: 3.49 | #Rotatable Bonds: 8 |
| 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: 10.45 | CX Basic pKa: | CX LogP: 2.84 | CX LogD: 2.84 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.56 | Np Likeness Score: -1.93 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):