| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4549519
Max Phase: Preclinical
Molecular Formula: C15H11Br2N3O2S2
Molecular Weight: 489.21
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1cc(Br)cc(Br)c1)NC(=S)NNC(=O)c1cccs1
Standard InChI: InChI=1S/C15H11Br2N3O2S2/c16-10-6-9(7-11(17)8-10)3-4-13(21)18-15(23)20-19-14(22)12-2-1-5-24-12/h1-8H,(H,19,22)(H2,18,20,21,23)/b4-3+
Standard InChI Key: WHYZPGNYHOESOY-ONEGZZNKSA-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: 489.21 | Molecular Weight (Monoisotopic): 486.8659 | AlogP: 3.62 | #Rotatable Bonds: 3 |
| Polar Surface Area: 70.23 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.06 | CX Basic pKa: | CX LogP: 4.59 | CX LogD: 4.58 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.35 | Np Likeness Score: -1.97 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):