ID: ALA5289692
Chembl Id: CHEMBL5289692
Max Phase: Preclinical
Molecular Formula: C17H14N4O2SSe
Molecular Weight: 417.35
Associated Items:
Canonical SMILES: N#C[Se]Cc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
Standard InChI: InChI=1S/C17H14N4O2SSe/c18-12-25-11-14-10-17(13-4-2-1-3-5-13)21(20-14)15-6-8-16(9-7-15)24(19,22)23/h1-10H,11H2,(H2,19,22,23)
Standard InChI Key: IGBJWNFJSAPHDY-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 417.35 | Molecular Weight (Monoisotopic): 418.0003 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. Chuai H, Zhang SQ, Bai H, Li J, Wang Y, Sun J, Wen E, Zhang J, Xin M.. (2021) Small molecule selenium-containing compounds: Recent development and therapeutic applications., 223 [PMID:34217061] [10.1016/j.ejmech.2021.113621] |
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