(Z)-5-(4-Methoxy-3-((methyldiphenylsilyl)ethynyl)benzylidene)-2-thioxothiazolidin-4-one

ID: ALA5176894

Chembl Id: CHEMBL5176894

PubChem CID: 168278149

Max Phase: Preclinical

Molecular Formula: C26H21NO2S2Si

Molecular Weight: 471.68

Names and Identifiers

Canonical SMILES:  COc1ccc(/C=C2\SC(=S)NC2=O)cc1C#C[Si](C)(c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C26H21NO2S2Si/c1-29-23-14-13-19(18-24-25(28)27-26(30)31-24)17-20(23)15-16-32(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-18H,1-2H3,(H,27,28,30)/b24-18-

Standard InChI Key:  BJFBLDLNIQFERR-MOHJPFBDSA-N

Alternative Forms

1. Parent:

   

   ALA5176894

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Molecule Features

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

Calculated Properties

Molecular Weight: 471.68

Molecular Weight (Monoisotopic): 471.0783

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:

References

1. Miyazaki Y, Kikuchi M, Umezawa K, Descamps A, Nakamura D, Furuie G, Sumida T, Saito K, Kimura N, Niwa T, Sumida Y, Umehara T, Hosoya T, Kii I..  (2022)  Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.,  227  [PMID:34742017] [10.1016/j.ejmech.2021.113948]

Source

Source(1):

• Scientific Literature