Details of the Drug

General Information of Drug (ID: DMETVLB)

Drug Name

Fidarestat(Stereoisomer)

Synonyms

FIDARESTAT(STEREOISOMER); CHEMBL84060; (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE; Fir; AC1L9MSJ; (R,S)-FIDARESTAT; SCHEMBL48828; ZINC5704; BDBM50089423; (2R,4S)-6-Fluoro-2',5'-dioxospiro[2H-1-benzopyran-4(3H),4'-imidazolidine]-2-carboxamide; (2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide; (2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

279.22

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C12H10FN3O4
IUPAC Name: (2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
Canonical SMILES: C1[C@H](OC2=C([C@@]13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)N
InChI: InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1
InChIKey: WAAPEIZFCHNLKK-QPUJVOFHSA-N