| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4556446
Max Phase: Preclinical
Molecular Formula: C16H18ClN3O2S2
Molecular Weight: 383.93
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NCCNC(=S)Nc2ccccc2Cl)cc1
Standard InChI: InChI=1S/C16H18ClN3O2S2/c1-12-6-8-13(9-7-12)24(21,22)19-11-10-18-16(23)20-15-5-3-2-4-14(15)17/h2-9,19H,10-11H2,1H3,(H2,18,20,23)
Standard InChI Key: VGPONFMIHWCODF-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: 383.93 | Molecular Weight (Monoisotopic): 383.0529 | AlogP: 2.91 | #Rotatable Bonds: 6 |
| Polar Surface Area: 70.23 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.40 | CX Basic pKa: | CX LogP: 3.74 | CX LogD: 3.74 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.53 | Np Likeness Score: -2.27 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):