| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4551885
Max Phase: Preclinical
Molecular Formula: C15H15BrN2O3S
Molecular Weight: 383.27
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)cc1
Standard InChI: InChI=1S/C15H15BrN2O3S/c1-11-5-7-14(8-6-11)22(20,21)17-10-15(19)18-13-4-2-3-12(16)9-13/h2-9,17H,10H2,1H3,(H,18,19)
Standard InChI Key: OUNSTZOJBOXBPS-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: 383.27 | Molecular Weight (Monoisotopic): 381.9987 | AlogP: 2.67 | #Rotatable Bonds: 5 |
| 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: 10.37 | CX Basic pKa: | CX LogP: 3.00 | CX LogD: 3.00 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.83 | Np Likeness Score: -2.07 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):