Details of the Drug

General Information of Drug (ID: DMLIG3X)

Drug Name

3,5 DIBROMOTYROSINE

Synonyms

3,5-DIBROMOTYROSINE; 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid; 537-24-6; 3,5-Dibromo-tyrosine; NSC210786; 3,5-Dibromo-DL-tyrosine; Bromotiren; CHEMBL1253341; CHEBI:80912; L-Tyrosine,5-dibromo-; Tyrosine,5-dibromo-, L-; Dibromotirina; Biotiren; NSC-210786; EINECS 208-661-9; Tyrosine,5-dibromo-; .beta.-(3,5-Dibromo-4-hydroxyphenyl)alanine; ACMC-209hco; AC1L1W1Q; SCHEMBL145218; CTK7I4423; MolPort-002-887-590; NSC97935; ZX-AN012875; NSC39452; ALBB-014135; NSC-97935; NSC-39452; BDBM50326563; AKOS005109959; MS-3024

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

338.98

Logarithm of the Partition Coefficient (xlogp)

-0.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H9Br2NO3
IUPAC Name: (2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N
InChI: InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKey: COESHZUDRKCEPA-ZETCQYMHSA-N