| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4471296
Max Phase: Preclinical
Molecular Formula: C16H16BrFN2O3S
Molecular Weight: 415.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Br)cc2F)cc1
Standard InChI: InChI=1S/C16H16BrFN2O3S/c1-11-2-6-14(7-3-11)24(22,23)20-10-16(21)19-9-12-4-5-13(17)8-15(12)18/h2-8,20H,9-10H2,1H3,(H,19,21)
Standard InChI Key: MHVIDTZXQDHLII-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: 415.28 | Molecular Weight (Monoisotopic): 414.0049 | AlogP: 2.49 | #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: 10.37 | CX Basic pKa: | CX LogP: 2.85 | CX LogD: 2.85 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.76 | Np Likeness Score: -2.10 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):