ID: ALA4248427
Chembl Id: CHEMBL4248427
PubChem CID: 145984090
Max Phase: Preclinical
Molecular Formula: C10H19NO3SSi
Molecular Weight: 261.42
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: C[C@H](CS)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)O
Standard InChI: InChI=1S/C10H19NO3SSi/c1-7(4-15)9(12)11-6-16(2,3)5-8(11)10(13)14/h7-8,15H,4-6H2,1-3H3,(H,13,14)/t7-,8+/m1/s1
Standard InChI Key: HIELEDJWYDZOEX-SFYZADRCSA-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: Small molecule | 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: 261.42 | Molecular Weight (Monoisotopic): 261.0855 | 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. Ramesh R, Reddy DS.. (2018) Quest for Novel Chemical Entities through Incorporation of Silicon in Drug Scaffolds., 61 (9): [PMID:29039662] [10.1021/acs.jmedchem.7b00718] |
Source(1):
