| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4543047
Max Phase: Preclinical
Molecular Formula: C17H21N3O3S2
Molecular Weight: 379.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1NC(=S)NCCNS(=O)(=O)c1ccc(C)cc1
Standard InChI: InChI=1S/C17H21N3O3S2/c1-13-7-9-14(10-8-13)25(21,22)19-12-11-18-17(24)20-15-5-3-4-6-16(15)23-2/h3-10,19H,11-12H2,1-2H3,(H2,18,20,24)
Standard InChI Key: HKXCJYQGJNRSIQ-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: 379.51 | Molecular Weight (Monoisotopic): 379.1024 | AlogP: 2.27 | #Rotatable Bonds: 7 |
| Polar Surface Area: 79.46 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.40 | CX Basic pKa: | CX LogP: 2.98 | CX LogD: 2.98 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.51 | Np Likeness Score: -1.97 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):