| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4540940
Max Phase: Preclinical
Molecular Formula: C15H15BrN2O4S
Molecular Weight: 399.27
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)cc1
Standard InChI: InChI=1S/C15H15BrN2O4S/c1-22-13-5-7-14(8-6-13)23(20,21)17-10-15(19)18-12-4-2-3-11(16)9-12/h2-9,17H,10H2,1H3,(H,18,19)
Standard InChI Key: HMBGIRBXNSUFKO-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: 399.27 | Molecular Weight (Monoisotopic): 397.9936 | AlogP: 2.37 | #Rotatable Bonds: 6 |
| Polar Surface Area: 84.50 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.42 | CX Basic pKa: | CX LogP: 2.33 | CX LogD: 2.33 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.78 | Np Likeness Score: -1.87 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):