Details of the Drug

General Information of Drug (ID: DMHELFU)

Drug Name

BF-389

Synonyms

Biofor 389; BF-389; UNII-MGJ3XBS5KD; MGJ3XBS5KD; BF 389; 127245-22-1; 4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-methyl-5,6-dihydro-2H-1,2-oxazin-3(4H)-one; Dihydro-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-methyl-2H-1,2-oxazin-3(4H)-one; 2H-1,2-Oxazin-3(4H)-one, dihydro-4-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-methyl-; 2H-1,2-Oxazin-3(4H)-one, 4-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)dihydro-2-methyl-; Biofor-389; AC1O5RBB; SCHEMBL8291651; LS-100029

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

331.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H29NO3
IUPAC Name: (4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyloxazinan-3-one
Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\\CCON(C2=O)C
InChI: InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-24-21(7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
InChIKey: BWRYNNCGEDOTRW-GXDHUFHOSA-N