| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4556410
Max Phase: Preclinical
Molecular Formula: C16H21BrN2O3
Molecular Weight: 369.26
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(COc1ccc(Br)cc1)NCC(=O)NC1CCCCC1
Standard InChI: InChI=1S/C16H21BrN2O3/c17-12-6-8-14(9-7-12)22-11-16(21)18-10-15(20)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,21)(H,19,20)
Standard InChI Key: BZPLYYVIPPHZAW-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: 369.26 | Molecular Weight (Monoisotopic): 368.0736 | AlogP: 2.39 | #Rotatable Bonds: 6 |
| Polar Surface Area: 67.43 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.15 | CX Basic pKa: | CX LogP: 2.17 | CX LogD: 2.17 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.81 | Np Likeness Score: -1.44 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):